3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide

C12H19N5O — CID 123745617

IUPAC3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide
SMILESC/N=C/C1CCCCC1n1cc(C(N)=O)c(N)n1
InChIInChI=1S/C12H19N5O/c1-15-6-8-4-2-3-5-10(8)17-7-9(12(14)18)11(13)16-17/h6-8,10H,2-5H2,1H3,(H2,13,16)(H2,14,18)/b15-6+
InChIKeyOGWKOIFDZQCCAL-GIDUJCDVSA-N
MW249.32 g/mol
LogP1.00
Rot. Bonds3

About 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide

3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide (PubChem CID 123745617) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide
PubChem CID123745617
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide
SMILESC/N=C/C1CCCCC1n1cc(C(N)=O)c(N)n1
InChIInChI=1S/C12H19N5O/c1-15-6-8-4-2-3-5-10(8)17-7-9(12(14)18)11(13)16-17/h6-8,10H,2-5H2,1H3,(H2,13,16)(H2,14,18)/b15-6+
InChIKeyOGWKOIFDZQCCAL-GIDUJCDVSA-N
XLogP1.00
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-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

3-amino-1-[(8R,9R)-9-methylspiro[4.5]decan-8-yl]pyrazole-4-carboxamide
CID 130284394
3-amino-1-[(3R,4S)-4-isocyanooxan-3-yl]pyrazole-4-carboxamide
CID 123626639
1-[5-(dimethylamino)-2-(methyliminomethyl)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 123500417
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110
1-[(1S,2S,4S)-4-hydroxy-2-(methyliminomethyl)cyclohexyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazole-4-carboxamide
CID 130284373
3-[(2-hydroxy-4,8-dimethyl-1,2-benzoxaborinin-6-yl)amino]-1-[(3R,4S)-4-(methyliminomethyl)oxan-3-yl]pyrazole-4-carboxamide
CID 174013158
ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
CID 23113343
(3-amino-1-cyclopentylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 146680609
3-[3-ethynyl-4-(2-trimethylsilylethoxymethoxy)anilino]-1-[(3R)-4-(methyliminomethyl)oxan-3-yl]pyrazole-4-carboxamide
CID 174013078
3-amino-1-[(3S,4R)-4-cyanooxan-3-yl]pyrazole-4-carboxylic acid
CID 155254944
3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide
CID 92526526
1-[(4S)-4-(methyliminomethyl)oxan-3-yl]-3-[4-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethynyl)anilino]pyrazole-4-carboxamide
CID 174013751

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide (CID 123745617) is 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide is C/N=C/C1CCCCC1n1cc(C(N)=O)c(N)n1.
What is the InChIKey of 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide?
The InChIKey is OGWKOIFDZQCCAL-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H19N5O/c1-15-6-8-4-2-3-5-10(8)17-7-9(12(14)18)11(13)16-17/h6-8,10H,2-5H2,1H3,(H2,13,16)(H2,14,18)/b15-6+.
What are the key properties of 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide?
3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(methyliminomethyl)cyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 123745617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).