N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C19H22FN3O2 — CID 25284344

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H22FN3O2/c1-25-17-13-23(16-9-7-15(20)8-10-16)22-18(17)19(24)21-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,21,24)
InChIKeyITIXUOJCVBVCIO-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284344) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284344
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H22FN3O2/c1-25-17-13-23(16-9-7-15(20)8-10-16)22-18(17)19(24)21-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,21,24)
InChIKeyITIXUOJCVBVCIO-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-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

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
2,3-Dihydroindol-1-yl-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 16618646
(3S)-3-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71462413
4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7581178
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992538
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
1-(4-fluorophenyl)-4-methoxy-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 25284363
(4-ethoxy-1-(4-fluorophenyl)-1H-pyrazol-3-yl)(2-methylindolin-1-yl)methanone
CID 44062379
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 45283985
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284344) is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is ITIXUOJCVBVCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-17-13-23(16-9-7-15(20)8-10-16)22-18(17)19(24)21-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).