1-(2-methylpropyl)pyrazole-4-carboxamide

C8H13N3O — CID 58125107

IUPAC1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(N)=O)cn1
InChIInChI=1S/C8H13N3O/c1-6(2)4-11-5-7(3-10-11)8(9)12/h3,5-6H,4H2,1-2H3,(H2,9,12)
InChIKeyFCIZXBSWSKKHFG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds3

About 1-(2-methylpropyl)pyrazole-4-carboxamide

1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 58125107) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID58125107
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(N)=O)cn1
InChIInChI=1S/C8H13N3O/c1-6(2)4-11-5-7(3-10-11)8(9)12/h3,5-6H,4H2,1-2H3,(H2,9,12)
InChIKeyFCIZXBSWSKKHFG-UHFFFAOYSA-N
XLogP0.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)pyrazole-4-carboxamide (CID 58125107) is 1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)Cn1cc(C(N)=O)cn1.
What is the InChIKey of 1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is FCIZXBSWSKKHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)4-11-5-7(3-10-11)8(9)12/h3,5-6H,4H2,1-2H3,(H2,9,12).
What are the key properties of 1-(2-methylpropyl)pyrazole-4-carboxamide?
1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58125107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).