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

C12H18N4O — CID 17384885

IUPAC5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C2/CCCC(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)/b14-10-
InChIKeyJIPQXCSFBOAAMS-UVTDQMKNSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds2

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

5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide (PubChem CID 17384885) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide
PubChem CID17384885
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C2/CCCC(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)/b14-10-
InChIKeyJIPQXCSFBOAAMS-UVTDQMKNSA-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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Related Compounds

3-methyl-1H-pyrazole-5-carbohydrazide
CID 737234
5-Adamantan-1-yl-2H-pyrazole-3-carboxylic acid hydrazide
CID 2868037
3-Methyl-1H-pyrazole-5-carboxamide
CID 15920410
3-tert-butyl-1H-pyrazole-5-carbohydrazide
CID 718956
3-methyl-N'-(1,2,2-trimethylpropylidene)-1H-pyrazole-5-carbohydrazide
CID 5411186
3-methyl-N'-(3-methylcyclohexylidene)-1H-pyrazole-5-carbohydrazide
CID 5997967
N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 7278032
N'-[1-(1-adamantyl)ethylidene]-3-tert-butyl-1H-pyrazole-5-carbohydrazide
CID 9593092
N'-(2-ethylcyclopentylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 11839029
3-methyl-N'-[(2E,3E)-4-phenylbut-3-en-2-ylidene]-1H-pyrazole-5-carbohydrazide
CID 16478775
3-Isopropyl-N'-(1-phenylethylidene)-1H-pyrazole-5-carbohydrazide
CID 5403039
5-methyl-N'-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazole-3-carbohydrazide
CID 2315324

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide (CID 17384885) is 5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C2/CCCC(C)C2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide?
The InChIKey is JIPQXCSFBOAAMS-UVTDQMKNSA-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)/b14-10-.
What are the key properties of 5-methyl-N-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(Z)-(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-[(Z)-(3-methylcyclohexylidene)amino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 17384885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).