1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide

C17H22ClN3O2 — CID 97338956

IUPAC1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@H](C)C[C@H](C)O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O2/c1-11(7-13(3)22)10-19-17(23)16-8-12(2)21(20-16)15-6-4-5-14(18)9-15/h4-6,8-9,11,13,22H,7,10H2,1-3H3,(H,19,23)/t11-,13+/m1/s1
InChIKeyOFKGQYDJUVVPKG-YPMHNXCESA-N
MW335.84 g/mol
LogP2.97
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide

1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide (PubChem CID 97338956) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
PubChem CID97338956
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@H](C)C[C@H](C)O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O2/c1-11(7-13(3)22)10-19-17(23)16-8-12(2)21(20-16)15-6-4-5-14(18)9-15/h4-6,8-9,11,13,22H,7,10H2,1-3H3,(H,19,23)/t11-,13+/m1/s1
InChIKeyOFKGQYDJUVVPKG-YPMHNXCESA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
1-(3-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110373019
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111662424
1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110002325
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
1-(3-chlorophenyl)-5-methyl-N-[(3-methyloxolan-3-yl)methyl]pyrazole-3-carboxamide
CID 146126301
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide
CID 110000266
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681602

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide (CID 97338956) is 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NC[C@H](C)C[C@H](C)O)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is OFKGQYDJUVVPKG-YPMHNXCESA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(7-13(3)22)10-19-17(23)16-8-12(2)21(20-16)15-6-4-5-14(18)9-15/h4-6,8-9,11,13,22H,7,10H2,1-3H3,(H,19,23)/t11-,13+/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 97338956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).