4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide

C19H19ClN6O — CID 22037760

IUPAC4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1
InChIInChI=1S/C19H19ClN6O/c20-14-3-1-13(2-4-14)17-16(12-5-7-22-8-6-12)19(25-24-17)26-10-9-23-15(11-26)18(21)27/h1-8,15,23H,9-11H2,(H2,21,27)(H,24,25)
InChIKeyMIKKTKOKRSZXEF-UHFFFAOYSA-N
MW382.86 g/mol
LogP2.06
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide

4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide (PubChem CID 22037760) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
PubChem CID22037760
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1
InChIInChI=1S/C19H19ClN6O/c20-14-3-1-13(2-4-14)17-16(12-5-7-22-8-6-12)19(25-24-17)26-10-9-23-15(11-26)18(21)27/h1-8,15,23H,9-11H2,(H2,21,27)(H,24,25)
InChIKeyMIKKTKOKRSZXEF-UHFFFAOYSA-N
XLogP2.06
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide (CID 22037760) is 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide is NC(=O)C1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CCN1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide?
The InChIKey is MIKKTKOKRSZXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c20-14-3-1-13(2-4-14)17-16(12-5-7-22-8-6-12)19(25-24-17)26-10-9-23-15(11-26)18(21)27/h1-8,15,23H,9-11H2,(H2,21,27)(H,24,25).
What are the key properties of 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide?
4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide has a molecular weight of 382.86 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 22037760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).