1-ethylpyrazole-3-carboxamide

C6H9N3O — CID 7017671

IUPAC1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(N)=O)n1
InChIInChI=1S/C6H9N3O/c1-2-9-4-3-5(8-9)6(7)10/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyMLXGKZWDMDQKCG-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.00
Rot. Bonds2

About 1-ethylpyrazole-3-carboxamide

1-ethylpyrazole-3-carboxamide (PubChem CID 7017671) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethylpyrazole-3-carboxamide
PubChem CID7017671
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(N)=O)n1
InChIInChI=1S/C6H9N3O/c1-2-9-4-3-5(8-9)6(7)10/h3-4H,2H2,1H3,(H2,7,10)
InChIKeyMLXGKZWDMDQKCG-UHFFFAOYSA-N
XLogP0.00
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.00
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
4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-4-one
CID 585782
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
1-Methyl-1H-pyrazole-3-carboxaldehyde
CID 7026090
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
N-(4,5-dihydrothiazol-2-yl)-1-ethyl-3-pyrazolecarboxamide
CID 841677
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
1-methyl-1H-pyrazole-5-carbaldehyde
CID 7019414
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazole-3-carboxamide?
The IUPAC name of 1-ethylpyrazole-3-carboxamide (CID 7017671) is 1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethylpyrazole-3-carboxamide is CCn1ccc(C(N)=O)n1.
What is the InChIKey of 1-ethylpyrazole-3-carboxamide?
The InChIKey is MLXGKZWDMDQKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-9-4-3-5(8-9)6(7)10/h3-4H,2H2,1H3,(H2,7,10).
What are the key properties of 1-ethylpyrazole-3-carboxamide?
1-ethylpyrazole-3-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 7017671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).