N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H13ClF3N3O — CID 843342

IUPACN-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3N3O/c16-10-2-1-3-11(6-10)20-14(23)8-22-12(9-4-5-9)7-13(21-22)15(17,18)19/h1-3,6-7,9H,4-5,8H2,(H,20,23)
InChIKeyNQPCBDAKEZWNCW-UHFFFAOYSA-N
MW343.74 g/mol
LogP4.07
Rot. Bonds4

About N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 843342) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID843342
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC NameN-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3N3O/c16-10-2-1-3-11(6-10)20-14(23)8-22-12(9-4-5-9)7-13(21-22)15(17,18)19/h1-3,6-7,9H,4-5,8H2,(H,20,23)
InChIKeyNQPCBDAKEZWNCW-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 843383
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-(3-chloro-4-fluorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 998379
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylpropanamide
CID 19563870
N-cyclopropyl-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520861
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 4765958
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 843517
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 19520940
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520962
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19520941
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19526311
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19520859

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 843342) is N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is NQPCBDAKEZWNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c16-10-2-1-3-11(6-10)20-14(23)8-22-12(9-4-5-9)7-13(21-22)15(17,18)19/h1-3,6-7,9H,4-5,8H2,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 343.74 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 843342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).