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

C5H8N4O — CID 10844455

IUPAC5-amino-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1N
InChIInChI=1S/C5H8N4O/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H3,6,8,9)
InChIKeyYBUNJKBHLIWUPV-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.65
Rot. Bonds1

About 5-amino-N-methyl-1H-pyrazole-4-carboxamide

5-amino-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 10844455) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 5-amino-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID10844455
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name5-amino-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1N
InChIInChI=1S/C5H8N4O/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H3,6,8,9)
InChIKeyYBUNJKBHLIWUPV-UHFFFAOYSA-N
XLogP-0.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Allopurinol
CID 135401907
1H-Pyrazole-4-carboxamide, 3-amino-
CID 79254
Happ
CID 135403386
6-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135456970
N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
Allopurinol (monosodium salt)
CID 135534565
6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135682068
Pyrazole-4-carboxamide, 3-(3-butyl-3-methyl-1-triazeno)-
CID 135666434
6-Propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136087126
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
3,7-Dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135466820
3-Amino-4-carboxamidopyrazolium Hydrogen Sulfate
CID 234619

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-1H-pyrazole-4-carboxamide (CID 10844455) is 5-amino-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is YBUNJKBHLIWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H3,6,8,9).
What are the key properties of 5-amino-N-methyl-1H-pyrazole-4-carboxamide?
5-amino-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 140.15 g/mol, XLogP of -0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 10844455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).