N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide

C10H17N3O2 — CID 61245282

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2/c1-7(2)3-9(6-14)13-10(15)8-4-11-12-5-8/h4-5,7,9,14H,3,6H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyGHYVQBMTMPFTFE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.55
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 61245282) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID61245282
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2/c1-7(2)3-9(6-14)13-10(15)8-4-11-12-5-8/h4-5,7,9,14H,3,6H2,1-2H3,(H,11,12)(H,13,15)
InChIKeyGHYVQBMTMPFTFE-UHFFFAOYSA-N
XLogP0.55
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.55
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)pyrimidine-5-carboxamide
CID 104627101
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 61247372
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide (CID 61245282) is N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide is CC(C)CC(CO)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is GHYVQBMTMPFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)3-9(6-14)13-10(15)8-4-11-12-5-8/h4-5,7,9,14H,3,6H2,1-2H3,(H,11,12)(H,13,15).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61245282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).