N-(2-methylpropyl)-1H-pyrazole-5-carboxamide

C8H13N3O — CID 53017403

IUPACN-(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyGXCQKWVJCHWJQZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.80
Rot. Bonds3

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

N-(2-methylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 53017403) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2-methylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID53017403
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyGXCQKWVJCHWJQZ-UHFFFAOYSA-N
XLogP0.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1H-pyrazole-5-carboxamide (CID 53017403) is N-(2-methylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1H-pyrazole-5-carboxamide is CC(C)CNC(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GXCQKWVJCHWJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)5-9-8(12)7-3-4-10-11-7/h3-4,6H,5H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
N-(2-methylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53017403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).