5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide

C20H20ClN3O3 — CID 91641083

IUPAC5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NC(CO)Cc2ccccc2)cc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-27-18-8-7-14(10-17(18)21)19-16(11-22-24-19)20(26)23-15(12-25)9-13-5-3-2-4-6-13/h2-8,10-11,15,25H,9,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyUHAYOOQRGKKHOO-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.07
Rot. Bonds7

About 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide

5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 91641083) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID91641083
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NC(CO)Cc2ccccc2)cc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-27-18-8-7-14(10-17(18)21)19-16(11-22-24-19)20(26)23-15(12-25)9-13-5-3-2-4-6-13/h2-8,10-11,15,25H,9,12H2,1H3,(H,22,24)(H,23,26)
InChIKeyUHAYOOQRGKKHOO-UHFFFAOYSA-N
XLogP3.07
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone
CID 15451931
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 100906875
5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795220
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
3-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45370860
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide (CID 91641083) is 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)NC(CO)Cc2ccccc2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is UHAYOOQRGKKHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-27-18-8-7-14(10-17(18)21)19-16(11-22-24-19)20(26)23-15(12-25)9-13-5-3-2-4-6-13/h2-8,10-11,15,25H,9,12H2,1H3,(H,22,24)(H,23,26).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide?
5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91641083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).