3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

C24H29N5O2 — CID 56526973

IUPAC3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
SMILESCc1c(NC(=O)CCN2CCC(Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H29N5O2/c1-18-23(24(31)29(27(18)2)21-11-7-4-8-12-21)26-22(30)14-16-28-15-13-20(17-28)25-19-9-5-3-6-10-19/h3-12,20,25H,13-17H2,1-2H3,(H,26,30)
InChIKeyOGAVKBMQQOSIBL-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.00
Rot. Bonds7

About 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide (PubChem CID 56526973) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
PubChem CID56526973
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
SMILESCc1c(NC(=O)CCN2CCC(Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H29N5O2/c1-18-23(24(31)29(27(18)2)21-11-7-4-8-12-21)26-22(30)14-16-28-15-13-20(17-28)25-19-9-5-3-6-10-19/h3-12,20,25H,13-17H2,1-2H3,(H,26,30)
InChIKeyOGAVKBMQQOSIBL-UHFFFAOYSA-N
XLogP3.00
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methylsulfanylpropanamide
CID 34673124
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CID 51135422
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22194062
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969735
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1412018
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2331096
4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
CID 119261471
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469039
2-(4-benzhydrylpiperazin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 648425
7-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)heptanamide;hydrochloride
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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide (CID 56526973) is 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide is Cc1c(NC(=O)CCN2CCC(Nc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The InChIKey is OGAVKBMQQOSIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-23(24(31)29(27(18)2)21-11-7-4-8-12-21)26-22(30)14-16-28-15-13-20(17-28)25-19-9-5-3-6-10-19/h3-12,20,25H,13-17H2,1-2H3,(H,26,30).
What are the key properties of 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-anilinopyrrolidin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 56526973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).