4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide

C24H27N5O — CID 74734859

IUPAC4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide
SMILESCc1nn(-c2ccccn2)c(C)c1C1C=CC(NC(=O)c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C24H27N5O/c1-16-23(17(2)29(27-16)22-7-5-6-14-25-22)19-8-11-20(15-19)26-24(30)18-9-12-21(13-10-18)28(3)4/h5-14,19-20H,15H2,1-4H3,(H,26,30)
InChIKeyMXUIMNUABCUNRM-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.79
Rot. Bonds5

About 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide

4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide (PubChem CID 74734859) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide
PubChem CID74734859
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide
SMILESCc1nn(-c2ccccn2)c(C)c1C1C=CC(NC(=O)c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C24H27N5O/c1-16-23(17(2)29(27-16)22-7-5-6-14-25-22)19-8-11-20(15-19)26-24(30)18-9-12-21(13-10-18)28(3)4/h5-14,19-20H,15H2,1-4H3,(H,26,30)
InChIKeyMXUIMNUABCUNRM-UHFFFAOYSA-N
XLogP3.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide with MolForge

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Related Compounds

N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]acetamide
CID 74734861
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]-3-phenylthiourea
CID 74736473
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-amine
CID 74735015
(1S,4S)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)cyclopent-2-en-1-amine
CID 44716529
1-(3-cyanophenyl)-3-[(1S,4S)-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]urea
CID 40777751
1-benzyl-3-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 26743431
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
1-cyclohexyl-3-[(1S,4R)-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 162918310
2-[2-[[(1S,4R)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]amino]-2-oxoethoxy]acetic acid
CID 162796035
N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
CID 43593768
2-[3,5-dimethyl-4-[4-(phenylcarbamothioylamino)cyclopent-2-en-1-yl]pyrazol-1-yl]-N-hydroxybenzeneamine oxide
CID 163141175
1-ethyl-3-[(1R,4S)-4-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea
CID 163097026

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide (CID 74734859) is 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide is Cc1nn(-c2ccccn2)c(C)c1C1C=CC(NC(=O)c2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide?
The InChIKey is MXUIMNUABCUNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-16-23(17(2)29(27-16)22-7-5-6-14-25-22)19-8-11-20(15-19)26-24(30)18-9-12-21(13-10-18)28(3)4/h5-14,19-20H,15H2,1-4H3,(H,26,30).
What are the key properties of 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide?
4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]benzamide is sourced from PubChem (CID 74734859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).