N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C23H26ClN5O — CID 5308494

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C23H26ClN5O/c1-18-16-22(29(26-18)20-7-3-2-4-8-20)23(30)25-10-11-27-12-14-28(15-13-27)21-9-5-6-19(24)17-21/h2-9,16-17H,10-15H2,1H3,(H,25,30)
InChIKeyCFGFKGXGORLUDT-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.39
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 5308494) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID5308494
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1
InChIInChI=1S/C23H26ClN5O/c1-18-16-22(29(26-18)20-7-3-2-4-8-20)23(30)25-10-11-27-12-14-28(15-13-27)21-9-5-6-19(24)17-21/h2-9,16-17H,10-15H2,1H3,(H,25,30)
InChIKeyCFGFKGXGORLUDT-UHFFFAOYSA-N
XLogP3.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 5308494) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is CFGFKGXGORLUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-18-16-22(29(26-18)20-7-3-2-4-8-20)23(30)25-10-11-27-12-14-28(15-13-27)21-9-5-6-19(24)17-21/h2-9,16-17H,10-15H2,1H3,(H,25,30).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 423.95 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5308494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).