N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide

C9H15N3O2 — CID 79252748

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-6(2)8(5-13)12-9(14)7-3-10-11-4-7/h3-4,6,8,13H,5H2,1-2H3,(H,10,11)(H,12,14)/t8-/m1/s1
InChIKeyADGCVNZFKOSJDR-MRVPVSSYSA-N
MW197.24 g/mol
LogP0.16
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 79252748) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID79252748
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-6(2)8(5-13)12-9(14)7-3-10-11-4-7/h3-4,6,8,13H,5H2,1-2H3,(H,10,11)(H,12,14)/t8-/m1/s1
InChIKeyADGCVNZFKOSJDR-MRVPVSSYSA-N
XLogP0.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 115662264
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
(2S)-3,3-dimethyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 61144659
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide (CID 79252748) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ADGCVNZFKOSJDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)8(5-13)12-9(14)7-3-10-11-4-7/h3-4,6,8,13H,5H2,1-2H3,(H,10,11)(H,12,14)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79252748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).