4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine

C107H173F4N21O3 — CID 159341258

IUPAC4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.COCCn1cc(C(C)(C)C)cn1
InChIInChI=1S/C13H20F2N2.C13H23N3.C12H15N3.C12H20N2O.C11H20N2O.C10H18N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2/c1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10/h8-9,11H,4-7H2,1-3H3;9-10,12H,5-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;7-8H,5-6H2,1-4H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3
InChIKeyLGDZAYCBLJSJST-UHFFFAOYSA-N
MW1877.70 g/mol
LogP24.92
Rot. Bonds12

About 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine

4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine (PubChem CID 159341258) has the molecular formula C107H173F4N21O3 and a molecular weight of 1877.70 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine.

Molecular Properties

Compound Name4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine
PubChem CID159341258
Molecular FormulaC107H173F4N21O3
Molecular Weight1877.70 g/mol
Exact Mass1876.40
IUPAC Name4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.COCCn1cc(C(C)(C)C)cn1
InChIInChI=1S/C13H20F2N2.C13H23N3.C12H15N3.C12H20N2O.C11H20N2O.C10H18N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2/c1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10/h8-9,11H,4-7H2,1-3H3;9-10,12H,5-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;7-8H,5-6H2,1-4H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3
InChIKeyLGDZAYCBLJSJST-UHFFFAOYSA-N
XLogP24.92
TPSA228.09 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.70
LogP ≤ 524.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine?
The IUPAC name of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine (CID 159341258) is 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine.
What is the SMILES notation for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine?
The canonical SMILES for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine is CC(C)(C)c1ccccn1.CC(C)(C)c1cnn(-c2ccncc2)c1.CC(C)(C)c1cnn(C(F)F)c1.CC(C)(C)c1cnn(C2CC2)c1.CC(C)(C)c1cnn(C2CCC(F)(F)CC2)c1.CC(C)(C)c1cnn(C2CCOCC2)c1.CC(C)(O)Cn1cc(C(C)(C)C)cn1.CCn1cc(C(C)(C)C)cn1.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.COCCn1cc(C(C)(C)C)cn1.
What is the InChIKey of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine?
The InChIKey is LGDZAYCBLJSJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2.C13H23N3.C12H15N3.C12H20N2O.C11H20N2O.C10H18N2O.C10H16N2.C9H16N2.C9H13N.C8H12F2N2/c1-12(2,3)10-8-16-17(9-10)11-4-6-13(14,15)7-5-11;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-12(2,3)10-8-14-15(9-10)11-4-6-13-7-5-11;1-12(2,3)10-8-13-14(9-10)11-4-6-15-7-5-11;1-10(2,3)9-6-12-13(7-9)8-11(4,5)14;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-10(2,3)8-6-11-12(7-8)9-4-5-9;1-5-11-7-8(6-10-11)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-11-12(5-6)7(9)10/h8-9,11H,4-7H2,1-3H3;9-10,12H,5-8H2,1-4H3;4-9H,1-3H3;8-9,11H,4-7H2,1-3H3;6-7,14H,8H2,1-5H3;7-8H,5-6H2,1-4H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;4-7H,1-3H3;4-5,7H,1-3H3.
What are the key properties of 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine?
4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine has a molecular weight of 1877.70 g/mol, XLogP of 24.92, 12 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine is sourced from PubChem (CID 159341258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).