5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

C23H22Cl2N4O — CID 55877479

IUPAC5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C23H22Cl2N4O/c24-16-8-9-21(20(25)12-16)29-22(15-6-7-15)19(14-26-29)23(30)27-17-4-3-5-18(13-17)28-10-1-2-11-28/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,27,30)
InChIKeyYAFPKMMUWUPLIA-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.91
Rot. Bonds5

About 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide (PubChem CID 55877479) has the molecular formula C23H22Cl2N4O and a molecular weight of 441.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
PubChem CID55877479
Molecular FormulaC23H22Cl2N4O
Molecular Weight441.36 g/mol
Exact Mass440.12
IUPAC Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C23H22Cl2N4O/c24-16-8-9-21(20(25)12-16)29-22(15-6-7-15)19(14-26-29)23(30)27-17-4-3-5-18(13-17)28-10-1-2-11-28/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,27,30)
InChIKeyYAFPKMMUWUPLIA-UHFFFAOYSA-N
XLogP5.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55604519
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 34337638
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 55982898
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 75453052
N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
CID 55604602
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-[(3-chlorophenyl)carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46281514
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
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propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
CID 95782154
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
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2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide (CID 55877479) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide is O=C(Nc1cccc(N2CCCC2)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is YAFPKMMUWUPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O/c24-16-8-9-21(20(25)12-16)29-22(15-6-7-15)19(14-26-29)23(30)27-17-4-3-5-18(13-17)28-10-1-2-11-28/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,27,30).
What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 441.36 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55877479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).