5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide

C12H18N4O — CID 4050490

IUPAC5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NN=C2CCCC(C)C2)n[nH]1
InChIInChI=1S/C12H18N4O/c1-8-4-3-5-10(6-8)14-16-12(17)11-7-9(2)13-15-11/h7-8H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyJIPQXCSFBOAAMS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds2

About 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide

5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide (PubChem CID 4050490) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide
PubChem CID4050490
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NN=C2CCCC(C)C2)n[nH]1
InChIInChI=1S/C12H18N4O/c1-8-4-3-5-10(6-8)14-16-12(17)11-7-9(2)13-15-11/h7-8H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyJIPQXCSFBOAAMS-UHFFFAOYSA-N
XLogP2.01
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide (CID 4050490) is 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NN=C2CCCC(C)C2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide?
The InChIKey is JIPQXCSFBOAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-4-3-5-10(6-8)14-16-12(17)11-7-9(2)13-15-11/h7-8H,3-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 4050490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).