4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine

C22H25N3O — CID 163136658

IUPAC4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine
SMILESCc1nn(Cc2ccccc2)c(C)c1C1C=CC(NCc2ccco2)C1
InChIInChI=1S/C22H25N3O/c1-16-22(17(2)25(24-16)15-18-7-4-3-5-8-18)19-10-11-20(13-19)23-14-21-9-6-12-26-21/h3-12,19-20,23H,13-15H2,1-2H3
InChIKeyIEZAEOHXOBBUAD-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.34
Rot. Bonds6

About 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine

4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine (PubChem CID 163136658) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine
PubChem CID163136658
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine
SMILESCc1nn(Cc2ccccc2)c(C)c1C1C=CC(NCc2ccco2)C1
InChIInChI=1S/C22H25N3O/c1-16-22(17(2)25(24-16)15-18-7-4-3-5-8-18)19-10-11-20(13-19)23-14-21-9-6-12-26-21/h3-12,19-20,23H,13-15H2,1-2H3
InChIKeyIEZAEOHXOBBUAD-UHFFFAOYSA-N
XLogP4.34
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-amine
CID 25390098
(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
2-[2-[[(1S,4R)-4-(1-benzyl-3,5-dimethylpyrazol-4-yl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 163084866
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-amine
CID 74735015
N-[(3-chlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopent-2-en-1-amine
CID 74736545
1-benzyl-3-[4-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 74736507
N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352922
1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19342457
4-[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(3-chlorophenyl)methyl]cyclopent-2-en-1-amine
CID 74736571
1-benzyl-3-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 26743431
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9080292

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine (CID 163136658) is 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine is Cc1nn(Cc2ccccc2)c(C)c1C1C=CC(NCc2ccco2)C1.
What is the InChIKey of 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine?
The InChIKey is IEZAEOHXOBBUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-22(17(2)25(24-16)15-18-7-4-3-5-8-18)19-10-11-20(13-19)23-14-21-9-6-12-26-21/h3-12,19-20,23H,13-15H2,1-2H3.
What are the key properties of 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine?
4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine has a molecular weight of 347.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 163136658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).