4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide

C21H28N6O — CID 71165910

IUPAC4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide
SMILESCc1ccc(C2(C)NNC(N3CCNC(C(N)=O)C3)=C2C2=CC=NCC2)cc1
InChIInChI=1S/C21H28N6O/c1-14-3-5-16(6-4-14)21(2)18(15-7-9-23-10-8-15)20(25-26-21)27-12-11-24-17(13-27)19(22)28/h3-7,9,17,24-26H,8,10-13H2,1-2H3,(H2,22,28)
InChIKeyHVWSDMIMLGAGNC-UHFFFAOYSA-N
MW380.50 g/mol
LogP0.69
Rot. Bonds4

About 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide

4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide (PubChem CID 71165910) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide
PubChem CID71165910
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide
SMILESCc1ccc(C2(C)NNC(N3CCNC(C(N)=O)C3)=C2C2=CC=NCC2)cc1
InChIInChI=1S/C21H28N6O/c1-14-3-5-16(6-4-14)21(2)18(15-7-9-23-10-8-15)20(25-26-21)27-12-11-24-17(13-27)19(22)28/h3-7,9,17,24-26H,8,10-13H2,1-2H3,(H2,22,28)
InChIKeyHVWSDMIMLGAGNC-UHFFFAOYSA-N
XLogP0.69
TPSA94.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide
CID 22953848
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 22110109
4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide
CID 136548844
4-(4-ethoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 146105812
4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide
CID 156754807
4-(6-nitroquinoxalin-2-yl)piperazine-2-carboxylic acid
CID 71649706
1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
CID 124997732
4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxamide
CID 170163113
ethyl 2-(3-ethoxycarbonylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 58844943
4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 139344298
4-iodopiperazine-2-carboxamide
CID 167254743
4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
CID 22037760

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide?
The IUPAC name of 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide (CID 71165910) is 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide?
The canonical SMILES for 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide is Cc1ccc(C2(C)NNC(N3CCNC(C(N)=O)C3)=C2C2=CC=NCC2)cc1.
What is the InChIKey of 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide?
The InChIKey is HVWSDMIMLGAGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-14-3-5-16(6-4-14)21(2)18(15-7-9-23-10-8-15)20(25-26-21)27-12-11-24-17(13-27)19(22)28/h3-7,9,17,24-26H,8,10-13H2,1-2H3,(H2,22,28).
What are the key properties of 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide?
4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dihydropyridin-4-yl)-5-methyl-5-(4-methylphenyl)-1,2-dihydropyrazol-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 71165910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).