N-methyl-1H-pyrazole-4-carboxamide

C5H7N3O — CID 43582329

IUPACN-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1
InChIInChI=1S/C5H7N3O/c1-6-5(9)4-2-7-8-3-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChIKeyKYHLCISBAUJJDH-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.23
Rot. Bonds1

About N-methyl-1H-pyrazole-4-carboxamide

N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 43582329) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1H-pyrazole-4-carboxamide
PubChem CID43582329
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC NameN-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1
InChIInChI=1S/C5H7N3O/c1-6-5(9)4-2-7-8-3-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChIKeyKYHLCISBAUJJDH-UHFFFAOYSA-N
XLogP-0.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
1H-pyrazole-4-carbaldehyde
CID 5130673
1H-pyrazole-4-carbohydrazide
CID 13031723
1H-Pyrazole-4-carboxamide
CID 17854756
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
5-Amino-N-methyl-1H-pyrazole-4-carboxamide
CID 10844455
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
5-Fluoropyrazole-4-carboxamide
CID 67420506
Pyrazole-4-carbonyl azide
CID 63079793
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804

Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1H-pyrazole-4-carboxamide (CID 43582329) is N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is KYHLCISBAUJJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-6-5(9)4-2-7-8-3-4/h2-3H,1H3,(H,6,9)(H,7,8).
What are the key properties of N-methyl-1H-pyrazole-4-carboxamide?
N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).