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

C16H22F3N3O — CID 4771027

IUPACN-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCC1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-10-13(11-6-7-11)22(21-14)9-8-15(23)20-12-4-2-1-3-5-12/h10-12H,1-9H2,(H,20,23)
InChIKeyIYSZDCYZTLFHAV-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.62
Rot. Bonds5

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

N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4771027) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4771027
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC NameN-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESO=C(CCn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCC1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-10-13(11-6-7-11)22(21-14)9-8-15(23)20-12-4-2-1-3-5-12/h10-12H,1-9H2,(H,20,23)
InChIKeyIYSZDCYZTLFHAV-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4771027) is N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is O=C(CCn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is IYSZDCYZTLFHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)14-10-13(11-6-7-11)22(21-14)9-8-15(23)20-12-4-2-1-3-5-12/h10-12H,1-9H2,(H,20,23).
What are the key properties of N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 329.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4771027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).