3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide

C9H13N3O — CID 58243756

IUPAC3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCNC(=O)c1cn(C)nc1C1CC1
InChIInChI=1S/C9H13N3O/c1-10-9(13)7-5-12(2)11-8(7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyGVEUUVROYBHIIB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.66
Rot. Bonds2

About 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide

3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 58243756) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide
PubChem CID58243756
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide
SMILESCNC(=O)c1cn(C)nc1C1CC1
InChIInChI=1S/C9H13N3O/c1-10-9(13)7-5-12(2)11-8(7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyGVEUUVROYBHIIB-UHFFFAOYSA-N
XLogP0.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide (CID 58243756) is 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide is CNC(=O)c1cn(C)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is GVEUUVROYBHIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-10-9(13)7-5-12(2)11-8(7)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide?
3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 58243756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).