N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C16H20F3N5O — CID 155961977

IUPACN-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(C2CCCCC2)[nH]n1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H20F3N5O/c1-10(24-8-7-13(23-24)16(17,18)19)15(25)20-14-9-12(21-22-14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,20,21,22,25)
InChIKeyPOOBCPULKYGHQP-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.87
Rot. Bonds4

About N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155961977) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155961977
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC NameN-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1cc(C2CCCCC2)[nH]n1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C16H20F3N5O/c1-10(24-8-7-13(23-24)16(17,18)19)15(25)20-14-9-12(21-22-14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,20,21,22,25)
InChIKeyPOOBCPULKYGHQP-UHFFFAOYSA-N
XLogP3.87
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide 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-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155961977) is N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1cc(C2CCCCC2)[nH]n1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is POOBCPULKYGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-10(24-8-7-13(23-24)16(17,18)19)15(25)20-14-9-12(21-22-14)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,20,21,22,25).
What are the key properties of N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 355.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155961977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).