5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide

C24H26ClN5O — CID 14278891

IUPAC5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CC(CCN3CCCCC3)C(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C24H26ClN5O/c25-21-8-6-19(7-9-21)23-20(12-15-29-13-2-1-3-14-29)17-30(28-23)24(31)27-22-10-4-18(16-26)5-11-22/h4-11,20H,1-3,12-15,17H2,(H,27,31)
InChIKeyLYDCBVOHTLBGSG-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.96
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 14278891) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID14278891
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CC(CCN3CCCCC3)C(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C24H26ClN5O/c25-21-8-6-19(7-9-21)23-20(12-15-29-13-2-1-3-14-29)17-30(28-23)24(31)27-22-10-4-18(16-26)5-11-22/h4-11,20H,1-3,12-15,17H2,(H,27,31)
InChIKeyLYDCBVOHTLBGSG-UHFFFAOYSA-N
XLogP4.96
TPSA71.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 14278894
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
ethyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate
CID 19852683
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 38884826
N-(4-cyanophenyl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113110702
5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide
CID 50902221
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-3-(4-cyanophenyl)urea
CID 161339575
N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide
CID 171985283

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide (CID 14278891) is 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide is N#Cc1ccc(NC(=O)N2CC(CCN3CCCCC3)C(c3ccc(Cl)cc3)=N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is LYDCBVOHTLBGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c25-21-8-6-19(7-9-21)23-20(12-15-29-13-2-1-3-14-29)17-30(28-23)24(31)27-22-10-4-18(16-26)5-11-22/h4-11,20H,1-3,12-15,17H2,(H,27,31).
What are the key properties of 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 14278891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).