4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide

C8H13N5O2 — CID 65355770

IUPAC4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(N)cnn1C)C(N)=O
InChIInChI=1S/C8H13N5O2/c1-4(7(10)14)12-8(15)6-5(9)3-11-13(6)2/h3-4H,9H2,1-2H3,(H2,10,14)(H,12,15)
InChIKeyGKYJTEXAOANEEI-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.39
Rot. Bonds3

About 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide

4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 65355770) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID65355770
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(N)cnn1C)C(N)=O
InChIInChI=1S/C8H13N5O2/c1-4(7(10)14)12-8(15)6-5(9)3-11-13(6)2/h3-4H,9H2,1-2H3,(H2,10,14)(H,12,15)
InChIKeyGKYJTEXAOANEEI-UHFFFAOYSA-N
XLogP-1.39
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-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

ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 70115891
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
4-amino-N-[4-(dimethylamino)butan-2-yl]-1-methylpyrazole-5-carboxamide
CID 65359893
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
CID 65359456
4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-N-(1-amino-1-oxopropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66120266
4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65355933
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729
4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359425

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide (CID 65355770) is 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide is CC(NC(=O)c1c(N)cnn1C)C(N)=O.
What is the InChIKey of 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GKYJTEXAOANEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-4(7(10)14)12-8(15)6-5(9)3-11-13(6)2/h3-4H,9H2,1-2H3,(H2,10,14)(H,12,15).
What are the key properties of 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65355770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).