N-cyclopropyl-1-ethylpyrazole-3-carboxamide

C9H13N3O — CID 19262184

IUPACN-cyclopropyl-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CC2)n1
InChIInChI=1S/C9H13N3O/c1-2-12-6-5-8(11-12)9(13)10-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,13)
InChIKeyOALBSYRQWGDLEW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.80
Rot. Bonds3

About N-cyclopropyl-1-ethylpyrazole-3-carboxamide

N-cyclopropyl-1-ethylpyrazole-3-carboxamide (PubChem CID 19262184) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-cyclopropyl-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-ethylpyrazole-3-carboxamide
PubChem CID19262184
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-cyclopropyl-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CC2)n1
InChIInChI=1S/C9H13N3O/c1-2-12-6-5-8(11-12)9(13)10-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,13)
InChIKeyOALBSYRQWGDLEW-UHFFFAOYSA-N
XLogP0.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
N-cyclopentyl-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 903107
N-cyclohexyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 903180
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-ethylpyrazole-3-carboxamide (CID 19262184) is N-cyclopropyl-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-ethylpyrazole-3-carboxamide?
The InChIKey is OALBSYRQWGDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-12-6-5-8(11-12)9(13)10-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,13).
What are the key properties of N-cyclopropyl-1-ethylpyrazole-3-carboxamide?
N-cyclopropyl-1-ethylpyrazole-3-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19262184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).