N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine

C23H24ClN3 — CID 74736545

IUPACN-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1C1C=CC(NCc2cccc(Cl)c2)C1
InChIInChI=1S/C23H24ClN3/c1-16-23(17(2)27(26-16)22-9-4-3-5-10-22)19-11-12-21(14-19)25-15-18-7-6-8-20(24)13-18/h3-13,19,21,25H,14-15H2,1-2H3
InChIKeyZNWWUTWNGDCOIB-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.34
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine

N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine (PubChem CID 74736545) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine
PubChem CID74736545
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1C1C=CC(NCc2cccc(Cl)c2)C1
InChIInChI=1S/C23H24ClN3/c1-16-23(17(2)27(26-16)22-9-4-3-5-10-22)19-11-12-21(14-19)25-15-18-7-6-8-20(24)13-18/h3-13,19,21,25H,14-15H2,1-2H3
InChIKeyZNWWUTWNGDCOIB-UHFFFAOYSA-N
XLogP5.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(3-chlorophenyl)methyl]cyclopent-2-en-1-amine
CID 74736571
(1S,4R)-N-benzyl-4-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-amine
CID 163168317
3-[[[(1S,4R)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]amino]methyl]benzonitrile
CID 163149128
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-amine
CID 74735015
(1S,4S)-4-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40780469
(1S,4S)-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]cyclopent-2-en-1-amine
CID 40780371
(1S,4R)-4-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine
CID 163119035
4-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine
CID 74451241
3-[[[(1S,4S)-4-[1-[2-[hydroxy(oxido)amino]phenyl]-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]amino]methyl]benzonitrile
CID 163148413
1-benzyl-3-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 26743431
1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylguanidine
CID 111177128
(1S,4S)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)cyclopent-2-en-1-amine
CID 44716529

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine (CID 74736545) is N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine is Cc1nn(-c2ccccc2)c(C)c1C1C=CC(NCc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine?
The InChIKey is ZNWWUTWNGDCOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3/c1-16-23(17(2)27(26-16)22-9-4-3-5-10-22)19-11-12-21(14-19)25-15-18-7-6-8-20(24)13-18/h3-13,19,21,25H,14-15H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine?
N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine has a molecular weight of 377.92 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 74736545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).