1-methylpyrazole-3-carboxamide

C5H7N3O — CID 13464586

IUPAC1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(N)=O)n1
InChIInChI=1S/C5H7N3O/c1-8-3-2-4(7-8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyDBSMXZFYDNXILM-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.48
Rot. Bonds1

About 1-methylpyrazole-3-carboxamide

1-methylpyrazole-3-carboxamide (PubChem CID 13464586) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methylpyrazole-3-carboxamide
PubChem CID13464586
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(N)=O)n1
InChIInChI=1S/C5H7N3O/c1-8-3-2-4(7-8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyDBSMXZFYDNXILM-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

N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
(hydroxyamino)methyl 1-methylpyrazole-3-carboxylate
CID 175789091
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
3-(aminomethyl)-5-methyl-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133201
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 103121422
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methylpyrazole-3-carboxamide
CID 103121464
(2R)-4-amino-2-[(1-methylpyrazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821158
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
4-(1-methylpyrazole-3-carbonyl)heptane-3,5-dione
CID 107431184

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-3-carboxamide?
The IUPAC name of 1-methylpyrazole-3-carboxamide (CID 13464586) is 1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-methylpyrazole-3-carboxamide is Cn1ccc(C(N)=O)n1.
What is the InChIKey of 1-methylpyrazole-3-carboxamide?
The InChIKey is DBSMXZFYDNXILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-8-3-2-4(7-8)5(6)9/h2-3H,1H3,(H2,6,9).
What are the key properties of 1-methylpyrazole-3-carboxamide?
1-methylpyrazole-3-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-3-carboxamide is sourced from PubChem (CID 13464586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).