1-methylpyrazole-4-carboxamide

C5H7N3O — CID 14579135

IUPAC1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)cn1
InChIInChI=1S/C5H7N3O/c1-8-3-4(2-7-8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyJHAHAUYJIIKYIC-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.48
Rot. Bonds1

About 1-methylpyrazole-4-carboxamide

1-methylpyrazole-4-carboxamide (PubChem CID 14579135) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methylpyrazole-4-carboxamide
PubChem CID14579135
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)cn1
InChIInChI=1S/C5H7N3O/c1-8-3-4(2-7-8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyJHAHAUYJIIKYIC-UHFFFAOYSA-N
XLogP-0.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
1-Methyl-1H-pyrazole-4-carbaldehyde
CID 573117
1-Ethyl-1H-pyrazole-4-carboxaldehyde
CID 2758900
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 3596939
1-tert-butyl-1H-pyrazole-4-carbaldehyde
CID 14510324
1-methyl-1H-pyrazole-4-carbonyl chloride
CID 3164931
1-Propyl-1H-pyrazole-4-carbaldehyde
CID 4711792
1-ethenyl-1H-pyrazole-4-carbaldehyde
CID 37134534
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
1-(1-ethyl-1H-pyrazol-4-yl)ethanone
CID 4912928
1-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 5230536
1-methyl-1H-pyrazole-4-carbohydrazide
CID 7017670

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-4-carboxamide?
The IUPAC name of 1-methylpyrazole-4-carboxamide (CID 14579135) is 1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-methylpyrazole-4-carboxamide is Cn1cc(C(N)=O)cn1.
What is the InChIKey of 1-methylpyrazole-4-carboxamide?
The InChIKey is JHAHAUYJIIKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-8-3-4(2-7-8)5(6)9/h2-3H,1H3,(H2,6,9).
What are the key properties of 1-methylpyrazole-4-carboxamide?
1-methylpyrazole-4-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 14579135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).