5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide

C25H27ClN8O — CID 142275286

IUPAC5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(NC(=O)N2CC(n3cc(C4NN=CCCN4C)cn3)C(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C25H27ClN8O/c1-17-4-10-21(11-5-17)29-25(35)34-16-22(23(31-34)18-6-8-20(26)9-7-18)33-15-19(14-28-33)24-30-27-12-3-13-32(24)2/h4-12,14-15,22,24,30H,3,13,16H2,1-2H3,(H,29,35)
InChIKeyDQVCJIRUUUPYLX-UHFFFAOYSA-N
MW491.00 g/mol
LogP4.25
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 142275286) has the molecular formula C25H27ClN8O and a molecular weight of 491.00 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID142275286
Molecular FormulaC25H27ClN8O
Molecular Weight491.00 g/mol
Exact Mass490.20
IUPAC Name5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1ccc(NC(=O)N2CC(n3cc(C4NN=CCCN4C)cn3)C(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C25H27ClN8O/c1-17-4-10-21(11-5-17)29-25(35)34-16-22(23(31-34)18-6-8-20(26)9-7-18)33-15-19(14-28-33)24-30-27-12-3-13-32(24)2/h4-12,14-15,22,24,30H,3,13,16H2,1-2H3,(H,29,35)
InChIKeyDQVCJIRUUUPYLX-UHFFFAOYSA-N
XLogP4.25
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.00
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide with MolForge

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Related Compounds

ethyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate
CID 19852683
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide
CID 171985283
5-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980924
N,5-bis(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)-3,4-dihydropyrazole-2-carboxamide
CID 67843236
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenyl)sulfanylphenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277336
N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 14278894
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide;N-(4-chlorophenyl)-4-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 161046518
N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide (CID 142275286) is 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide is Cc1ccc(NC(=O)N2CC(n3cc(C4NN=CCCN4C)cn3)C(c3ccc(Cl)cc3)=N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is DQVCJIRUUUPYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN8O/c1-17-4-10-21(11-5-17)29-25(35)34-16-22(23(31-34)18-6-8-20(26)9-7-18)33-15-19(14-28-33)24-30-27-12-3-13-32(24)2/h4-12,14-15,22,24,30H,3,13,16H2,1-2H3,(H,29,35).
What are the key properties of 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 491.00 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-methylphenyl)-4-[4-(4-methyl-2,3,5,6-tetrahydro-1,2,4-triazepin-3-yl)pyrazol-1-yl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 142275286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).