N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide

C16H21N3O2 — CID 110205416

IUPACN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-3-11(2)15(10-20)17-16(21)14-9-13(18-19-14)12-7-5-4-6-8-12/h4-9,11,15,20H,3,10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15-/m1/s1
InChIKeyOPLXSBDPDVYNEP-IAQYHMDHSA-N
MW287.36 g/mol
LogP2.21
Rot. Bonds6

About N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 110205416) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID110205416
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-3-11(2)15(10-20)17-16(21)14-9-13(18-19-14)12-7-5-4-6-8-12/h4-9,11,15,20H,3,10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15-/m1/s1
InChIKeyOPLXSBDPDVYNEP-IAQYHMDHSA-N
XLogP2.21
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-(1-hydroxy-3-methylpentan-2-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821141
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
3-(3,4-dimethoxyphenyl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124853927
3-(2,5-dimethoxyphenyl)-N-(1-hydroxy-3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 91822295
3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124862464
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205470
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-(5-hydroxy-4-methylpentyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 103862071
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 110205416) is N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide is CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is OPLXSBDPDVYNEP-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-11(2)15(10-20)17-16(21)14-9-13(18-19-14)12-7-5-4-6-8-12/h4-9,11,15,20H,3,10H2,1-2H3,(H,17,21)(H,18,19)/t11-,15-/m1/s1.
What are the key properties of N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110205416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).