1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide

C8H14N4O — CID 58431024

IUPAC1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide
SMILESCC(C)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C8H14N4O/c1-5(2)11-6-4-10-12(3)7(6)8(9)13/h4-5,11H,1-3H3,(H2,9,13)
InChIKeyJLAZQPXRBQMRQJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.34
Rot. Bonds3

About 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide

1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide (PubChem CID 58431024) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide
PubChem CID58431024
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide
SMILESCC(C)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C8H14N4O/c1-5(2)11-6-4-10-12(3)7(6)8(9)13/h4-5,11H,1-3H3,(H2,9,13)
InChIKeyJLAZQPXRBQMRQJ-UHFFFAOYSA-N
XLogP0.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide (CID 58431024) is 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide is CC(C)Nc1cnn(C)c1C(N)=O.
What is the InChIKey of 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide?
The InChIKey is JLAZQPXRBQMRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)11-6-4-10-12(3)7(6)8(9)13/h4-5,11H,1-3H3,(H2,9,13).
What are the key properties of 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide?
1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propan-2-ylamino)pyrazole-5-carboxamide is sourced from PubChem (CID 58431024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).