N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide

C22H24ClN5O — CID 129010779

IUPACN-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCCC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN5O/c1-16-20(22(29)26-27-14-6-2-3-7-15-27)25-28(19-8-4-5-13-24-19)21(16)17-9-11-18(23)12-10-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,26,29)
InChIKeyKSFWYSAVDLLNFD-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.42
Rot. Bonds4

About N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide

N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 129010779) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID129010779
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC NameN-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCCC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN5O/c1-16-20(22(29)26-27-14-6-2-3-7-15-27)25-28(19-8-4-5-13-24-19)21(16)17-9-11-18(23)12-10-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,26,29)
InChIKeyKSFWYSAVDLLNFD-UHFFFAOYSA-N
XLogP4.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-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 N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide (CID 129010779) is N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccccn2)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is KSFWYSAVDLLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-16-20(22(29)26-27-14-6-2-3-7-15-27)25-28(19-8-4-5-13-24-19)21(16)17-9-11-18(23)12-10-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,26,29).
What are the key properties of N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide?
N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-1-yl)-5-(4-chlorophenyl)-4-methyl-1-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 129010779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).