3-amino-1-methylpyrazole-4-carboxamide

C5H8N4O — CID 17118319

IUPAC3-amino-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c(N)n1
InChIInChI=1S/C5H8N4O/c1-9-2-3(5(7)10)4(6)8-9/h2H,1H3,(H2,6,8)(H2,7,10)
InChIKeyAFVDRBOAZKXVQB-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.90
Rot. Bonds1

About 3-amino-1-methylpyrazole-4-carboxamide

3-amino-1-methylpyrazole-4-carboxamide (PubChem CID 17118319) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3-amino-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-methylpyrazole-4-carboxamide
PubChem CID17118319
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3-amino-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c(N)n1
InChIInChI=1S/C5H8N4O/c1-9-2-3(5(7)10)4(6)8-9/h2H,1H3,(H2,6,8)(H2,7,10)
InChIKeyAFVDRBOAZKXVQB-UHFFFAOYSA-N
XLogP-0.90
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
7-Methyl-7H-pyrazolo(3,4-d)(1,2,3)triazin-4-ol
CID 135495349
5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
CID 223690
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
1-Methyl-1H-pyrazole-4-carboxamide
CID 14579135
5-amino-1-methyl-1H-pyrazole-4-carbaldehyde
CID 12332515
3-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-1-(oxolan-2-yl)-1H-pyrazole-4-carboxamide
CID 297135

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-methylpyrazole-4-carboxamide (CID 17118319) is 3-amino-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-methylpyrazole-4-carboxamide is Cn1cc(C(N)=O)c(N)n1.
What is the InChIKey of 3-amino-1-methylpyrazole-4-carboxamide?
The InChIKey is AFVDRBOAZKXVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9-2-3(5(7)10)4(6)8-9/h2H,1H3,(H2,6,8)(H2,7,10).
What are the key properties of 3-amino-1-methylpyrazole-4-carboxamide?
3-amino-1-methylpyrazole-4-carboxamide has a molecular weight of 140.15 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 17118319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).