N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide

C20H26N4O — CID 3636327

IUPACN-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C20H26N4O/c1-20(2,3)15-9-11-16(12-10-15)21-24-19(25)18-13-17(22-23-18)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,22,23)(H,24,25)/b21-16-
InChIKeyZGICVJUUWOLJRI-PGMHBOJBSA-N
MW338.46 g/mol
LogP4.40
Rot. Bonds3

About N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 3636327) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID3636327
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)C1CCC(=NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C20H26N4O/c1-20(2,3)15-9-11-16(12-10-15)21-24-19(25)18-13-17(22-23-18)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,22,23)(H,24,25)/b21-16-
InChIKeyZGICVJUUWOLJRI-PGMHBOJBSA-N
XLogP4.40
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.40
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

Suprafenacine
CID 6861947
N'-(4-Isopropylbenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
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CID 1828737
3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
N'-(4-Ethylbenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 6862328
3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
N'-benzoyl-1H-indazole-3-carbohydrazide
CID 4789701
5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6888929
3-cyclopropyl-N'-[(E)-1-naphthylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6889175
5-Methyl-2H-pyrazole-3-carboxylic acid anthracen-9-ylmethylene-hydrazide
CID 9556533
3-methyl-N'-(2-naphthylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9556881

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide (CID 3636327) is N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide is CC(C)(C)C1CCC(=NNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZGICVJUUWOLJRI-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2,3)15-9-11-16(12-10-15)21-24-19(25)18-13-17(22-23-18)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,22,23)(H,24,25)/b21-16-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3636327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).