3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide

C16H21ClF3N3O — CID 4770346

IUPAC3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide
SMILESO=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCCC1
InChIInChI=1S/C16H21ClF3N3O/c17-13-14(10-6-7-10)23(22-15(13)16(18,19)20)9-8-12(24)21-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,21,24)
InChIKeyKHAFUGILSPQWBT-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.27
Rot. Bonds5

About 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide

3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide (PubChem CID 4770346) has the molecular formula C16H21ClF3N3O and a molecular weight of 363.81 g/mol. Its IUPAC name is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide
PubChem CID4770346
Molecular FormulaC16H21ClF3N3O
Molecular Weight363.81 g/mol
Exact Mass363.13
IUPAC Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide
SMILESO=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCCC1
InChIInChI=1S/C16H21ClF3N3O/c17-13-14(10-6-7-10)23(22-15(13)16(18,19)20)9-8-12(24)21-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,21,24)
InChIKeyKHAFUGILSPQWBT-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide (CID 4770346) is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide is O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCCC1.
What is the InChIKey of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide?
The InChIKey is KHAFUGILSPQWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N3O/c17-13-14(10-6-7-10)23(22-15(13)16(18,19)20)9-8-12(24)21-11-4-2-1-3-5-11/h10-11H,1-9H2,(H,21,24).
What are the key properties of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide?
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide has a molecular weight of 363.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide is sourced from PubChem (CID 4770346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).