N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C22H24N4O2 — CID 16672645

IUPACN-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3cc(-c4ccccn4)n[nH]3)CCCCC2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-17-10-8-16(9-11-17)22(12-4-2-5-13-22)24-21(27)20-15-19(25-26-20)18-7-3-6-14-23-18/h3,6-11,14-15H,2,4-5,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyGRBKQTSWURIDHP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.07
Rot. Bonds5

About N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 16672645) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID16672645
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3cc(-c4ccccn4)n[nH]3)CCCCC2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-17-10-8-16(9-11-17)22(12-4-2-5-13-22)24-21(27)20-15-19(25-26-20)18-7-3-6-14-23-18/h3,6-11,14-15H,2,4-5,12-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyGRBKQTSWURIDHP-UHFFFAOYSA-N
XLogP4.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-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-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 16672645) is N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is COc1ccc(C2(NC(=O)c3cc(-c4ccccn4)n[nH]3)CCCCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is GRBKQTSWURIDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-17-10-8-16(9-11-17)22(12-4-2-5-13-22)24-21(27)20-15-19(25-26-20)18-7-3-6-14-23-18/h3,6-11,14-15H,2,4-5,12-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16672645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).