N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C17H22ClN3O2 — CID 110004266

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CO)c2ccc(Cl)cc2)cnn1CC(C)C
InChIInChI=1S/C17H22ClN3O2/c1-11(2)9-21-12(3)15(8-19-21)17(23)20-16(10-22)13-4-6-14(18)7-5-13/h4-8,11,16,22H,9-10H2,1-3H3,(H,20,23)
InChIKeyNZPSDKWXWAJWMV-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.96
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 110004266) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID110004266
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(CO)c2ccc(Cl)cc2)cnn1CC(C)C
InChIInChI=1S/C17H22ClN3O2/c1-11(2)9-21-12(3)15(8-19-21)17(23)20-16(10-22)13-4-6-14(18)7-5-13/h4-8,11,16,22H,9-10H2,1-3H3,(H,20,23)
InChIKeyNZPSDKWXWAJWMV-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-4-phenylbutanoic acid
CID 120518942
2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 120518043
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
N-[(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124850417
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109468532
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
(3S)-3-(4-chlorophenyl)-3-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120531556
5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
CID 122143589
2-methyl-4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 120526226
1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
CID 107860485

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 110004266) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NC(CO)c2ccc(Cl)cc2)cnn1CC(C)C.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is NZPSDKWXWAJWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(2)9-21-12(3)15(8-19-21)17(23)20-16(10-22)13-4-6-14(18)7-5-13/h4-8,11,16,22H,9-10H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 110004266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).