N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide

C9H15N3O2 — CID 65110977

IUPACN-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(C)(C)O
InChIInChI=1S/C9H15N3O2/c1-6-7(4-11-12-6)8(13)10-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyIIOSPEGYMAQPJJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.22
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 65110977) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID65110977
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(C)(C)O
InChIInChI=1S/C9H15N3O2/c1-6-7(4-11-12-6)8(13)10-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyIIOSPEGYMAQPJJ-UHFFFAOYSA-N
XLogP0.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 66174183
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CID 103712960
N-(4-bromo-2,2-dimethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106143708
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103843692
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 62307907
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
CID 61168270
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042461
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 65110977) is N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is IIOSPEGYMAQPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-7(4-11-12-6)8(13)10-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 65110977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).