1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol

C82H137N17O5S — CID 162249247

IUPAC1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCN(C)CC2)c1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(CC2CCCO2)c1.CC(C)c1cnn(C[C@@H]2CCCO2)c1.CC(C)c1cnn([C@@H](C)CO)c1.CCn1cc(C(C)C)cn1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C12H21N3.2C11H18N2O.C10H16N2O.C9H16N2O.C8H14N2.C7H12N2.C7H11NO.C7H11NS/c1-10(2)11-8-13-15(9-11)12-4-6-14(3)7-5-12;2*1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11;1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-7(2)9-4-10-11(5-9)8(3)6-12;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h8-10,12H,4-7H2,1-3H3;2*6-7,9,11H,3-5,8H2,1-2H3;5-6,8,10H,3-4,7H2,1-2H3;4-5,7-8,12H,6H2,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3/t;11-;;;8-;;;;/m.0..0..../s1
InChIKeyZXTKULRBDJUCTH-VRZMYDFLSA-N
MW1473.18 g/mol
LogP18.42
Rot. Bonds18

About 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol

1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol (PubChem CID 162249247) has the molecular formula C82H137N17O5S and a molecular weight of 1473.18 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
PubChem CID162249247
Molecular FormulaC82H137N17O5S
Molecular Weight1473.18 g/mol
Exact Mass1472.07
IUPAC Name1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCN(C)CC2)c1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(CC2CCCO2)c1.CC(C)c1cnn(C[C@@H]2CCCO2)c1.CC(C)c1cnn([C@@H](C)CO)c1.CCn1cc(C(C)C)cn1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1
InChIInChI=1S/C12H21N3.2C11H18N2O.C10H16N2O.C9H16N2O.C8H14N2.C7H12N2.C7H11NO.C7H11NS/c1-10(2)11-8-13-15(9-11)12-4-6-14(3)7-5-12;2*1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11;1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-7(2)9-4-10-11(5-9)8(3)6-12;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h8-10,12H,4-7H2,1-3H3;2*6-7,9,11H,3-5,8H2,1-2H3;5-6,8,10H,3-4,7H2,1-2H3;4-5,7-8,12H,6H2,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3/t;11-;;;8-;;;;/m.0..0..../s1
InChIKeyZXTKULRBDJUCTH-VRZMYDFLSA-N
XLogP18.42
TPSA214.82 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.18
LogP ≤ 518.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol 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

1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
CID 62730194
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
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
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225
2-[[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylmethyl]-5-propan-2-yl-1,3-oxazole
CID 97213392
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65197316
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
CID 65332290
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401350

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol (CID 162249247) is 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol is CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCN(C)CC2)c1.CC(C)c1cnn(C2CCOC2)c1.CC(C)c1cnn(CC2CCCO2)c1.CC(C)c1cnn(C[C@@H]2CCCO2)c1.CC(C)c1cnn([C@@H](C)CO)c1.CCn1cc(C(C)C)cn1.Cc1ncc(C(C)C)o1.Cc1ncc(C(C)C)s1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
The InChIKey is ZXTKULRBDJUCTH-VRZMYDFLSA-N. The full InChI is InChI=1S/C12H21N3.2C11H18N2O.C10H16N2O.C9H16N2O.C8H14N2.C7H12N2.C7H11NO.C7H11NS/c1-10(2)11-8-13-15(9-11)12-4-6-14(3)7-5-12;2*1-9(2)10-6-12-13(7-10)8-11-4-3-5-14-11;1-8(2)9-5-11-12(6-9)10-3-4-13-7-10;1-7(2)9-4-10-11(5-9)8(3)6-12;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-6(3)9-7/h8-10,12H,4-7H2,1-3H3;2*6-7,9,11H,3-5,8H2,1-2H3;5-6,8,10H,3-4,7H2,1-2H3;4-5,7-8,12H,6H2,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3/t;11-;;;8-;;;;/m.0..0..../s1.
What are the key properties of 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol?
1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol has a molecular weight of 1473.18 g/mol, XLogP of 18.42, 18 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-ylpyrazole;1-(oxolan-2-ylmethyl)-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;(2S)-2-(4-propan-2-ylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 162249247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).