3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide

C20H21N5O2 — CID 90633193

IUPAC3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H21N5O2/c26-19(18-13-17(24-25-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)27-20-21-11-4-12-22-20/h1-6,11-13,15-16H,7-10H2,(H,23,26)(H,24,25)
InChIKeyNVKMEEWCYUNPKB-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.99
Rot. Bonds5

About 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide

3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 90633193) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID90633193
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(Oc2ncccn2)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H21N5O2/c26-19(18-13-17(24-25-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)27-20-21-11-4-12-22-20/h1-6,11-13,15-16H,7-10H2,(H,23,26)(H,24,25)
InChIKeyNVKMEEWCYUNPKB-UHFFFAOYSA-N
XLogP2.99
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-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

Related Compounds

6-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyridazine-3-carboxamide
CID 90633191
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284
3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 9247830
N-(4-pyrimidin-2-yloxycyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 90633421
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
5-(furan-2-yl)-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-3-carboxamide
CID 90633194
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
2-ethylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633335
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
2-methylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633334

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 90633193) is 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide is O=C(NC1CCC(Oc2ncccn2)CC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NVKMEEWCYUNPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(18-13-17(24-25-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)27-20-21-11-4-12-22-20/h1-6,11-13,15-16H,7-10H2,(H,23,26)(H,24,25).
What are the key properties of 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide?
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90633193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).