1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole

C118H202Cl2F3N25O4S — CID 160931948

IUPAC1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole
SMILESCC(C)CCc1cnn(C)c1.CC(C)NC1CC1.CC(C)NC1CC1C.CC(C)NC1CC1F.CC(C)c1cn(C)nc1Cl.CC(C)c1cn(C)nc1Cl.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(F)F)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnoc1.CCC(C)n1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1nc(C(C)C)cs1
InChIInChI=1S/C10H16N2O.C10H18N2.C9H14N2O.C9H16N2O.C9H14N2.2C9H16N2.2C7H11ClN2.C7H10F2N2.C7H11NS.C7H15N.C6H12FN.C6H9NO.C6H13N/c1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-5-9(4)12-7-10(6-11-12)8(2)3;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)4-5-9-6-10-11(3)7-9;2*1-5(2)6-4-10(3)9-7(6)8;1-5(2)6-3-10-11(4-6)7(8)9;1-5(2)7-4-9-6(3)8-7;1-5(2)8-7-4-6(7)3;1-4(2)8-6-3-5(6)7;1-5(2)6-3-7-8-4-6;1-5(2)7-6-3-4-6/h5-6,8,10H,3-4,7H2,1-2H3;6-9H,5H2,1-4H3;3-4,7,9H,5-6H2,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3;2*4-5H,1-3H3;3-5,7H,1-2H3;4-5H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,3H2,1-2H3;3-5H,1-2H3;5-7H,3-4H2,1-2H3
InChIKeySTJLGORAWDWKMX-UHFFFAOYSA-N
MW2195.05 g/mol
LogP29.92
Rot. Bonds30

About 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole

1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole (PubChem CID 160931948) has the molecular formula C118H202Cl2F3N25O4S and a molecular weight of 2195.05 g/mol. Its IUPAC name is 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole
PubChem CID160931948
Molecular FormulaC118H202Cl2F3N25O4S
Molecular Weight2195.05 g/mol
Exact Mass2192.54
IUPAC Name1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole
SMILESCC(C)CCc1cnn(C)c1.CC(C)NC1CC1.CC(C)NC1CC1C.CC(C)NC1CC1F.CC(C)c1cn(C)nc1Cl.CC(C)c1cn(C)nc1Cl.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(F)F)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnoc1.CCC(C)n1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1nc(C(C)C)cs1
InChIInChI=1S/C10H16N2O.C10H18N2.C9H14N2O.C9H16N2O.C9H14N2.2C9H16N2.2C7H11ClN2.C7H10F2N2.C7H11NS.C7H15N.C6H12FN.C6H9NO.C6H13N/c1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-5-9(4)12-7-10(6-11-12)8(2)3;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)4-5-9-6-10-11(3)7-9;2*1-5(2)6-4-10(3)9-7(6)8;1-5(2)6-3-10-11(4-6)7(8)9;1-5(2)7-4-9-6(3)8-7;1-5(2)8-7-4-6(7)3;1-4(2)8-6-3-5(6)7;1-5(2)6-3-7-8-4-6;1-5(2)7-6-3-4-6/h5-6,8,10H,3-4,7H2,1-2H3;6-9H,5H2,1-4H3;3-4,7,9H,5-6H2,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3;2*4-5H,1-3H3;3-5,7H,1-2H3;4-5H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,3H2,1-2H3;3-5H,1-2H3;5-7H,3-4H2,1-2H3
InChIKeySTJLGORAWDWKMX-UHFFFAOYSA-N
XLogP29.92
TPSA280.90 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002195.05
LogP ≤ 529.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole?
The IUPAC name of 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole (CID 160931948) is 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole?
The canonical SMILES for 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole is CC(C)CCc1cnn(C)c1.CC(C)NC1CC1.CC(C)NC1CC1C.CC(C)NC1CC1F.CC(C)c1cn(C)nc1Cl.CC(C)c1cn(C)nc1Cl.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(F)F)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnoc1.CCC(C)n1cc(C(C)C)cn1.COCCn1cc(C(C)C)cn1.Cc1nc(C(C)C)cs1.
What is the InChIKey of 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole?
The InChIKey is STJLGORAWDWKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C10H18N2.C9H14N2O.C9H16N2O.C9H14N2.2C9H16N2.2C7H11ClN2.C7H10F2N2.C7H11NS.C7H15N.C6H12FN.C6H9NO.C6H13N/c1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-5-9(4)12-7-10(6-11-12)8(2)3;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-8(2)9-6-10-11(7-9)4-5-12-3;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7(2)9-5-10-11(6-9)8(3)4;1-8(2)4-5-9-6-10-11(3)7-9;2*1-5(2)6-4-10(3)9-7(6)8;1-5(2)6-3-10-11(4-6)7(8)9;1-5(2)7-4-9-6(3)8-7;1-5(2)8-7-4-6(7)3;1-4(2)8-6-3-5(6)7;1-5(2)6-3-7-8-4-6;1-5(2)7-6-3-4-6/h5-6,8,10H,3-4,7H2,1-2H3;6-9H,5H2,1-4H3;3-4,7,9H,5-6H2,1-2H3;6-8H,4-5H2,1-3H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3;2*4-5H,1-3H3;3-5,7H,1-2H3;4-5H,1-3H3;5-8H,4H2,1-3H3;4-6,8H,3H2,1-2H3;3-5H,1-2H3;5-7H,3-4H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole?
1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole has a molecular weight of 2195.05 g/mol, XLogP of 29.92, 30 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-propan-2-ylpyrazole;bis(3-chloro-1-methyl-4-propan-2-ylpyrazole);1-cyclopropyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-fluoro-N-propan-2-ylcyclopropan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpyrazole;1-methyl-4-(3-methylbutyl)pyrazole;2-methyl-N-propan-2-ylcyclopropan-1-amine;2-methyl-4-propan-2-yl-1,3-thiazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;N-propan-2-ylcyclopropanamine;4-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 160931948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).