N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide

C15H13ClF3N3O — CID 139759857

IUPACN-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1NC(=O)C1CC1
InChIInChI=1S/C15H13ClF3N3O/c1-22-12(7-13(21-22)15(17,18)19)10-6-9(16)4-5-11(10)20-14(23)8-2-3-8/h4-8H,2-3H2,1H3,(H,20,23)
InChIKeyKUPHZKWSGYCVKE-UHFFFAOYSA-N
MW343.74 g/mol
LogP4.11
Rot. Bonds3

About N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide

N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide (PubChem CID 139759857) has the molecular formula C15H13ClF3N3O and a molecular weight of 343.74 g/mol. Its IUPAC name is N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide
PubChem CID139759857
Molecular FormulaC15H13ClF3N3O
Molecular Weight343.74 g/mol
Exact Mass343.07
IUPAC NameN-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1NC(=O)C1CC1
InChIInChI=1S/C15H13ClF3N3O/c1-22-12(7-13(21-22)15(17,18)19)10-6-9(16)4-5-11(10)20-14(23)8-2-3-8/h4-8H,2-3H2,1H3,(H,20,23)
InChIKeyKUPHZKWSGYCVKE-UHFFFAOYSA-N
XLogP4.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide 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

1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
4-chloro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 90393685
N-(2-benzoyl-4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477468
2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863
2-chloro-N-[2-methoxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 67468607
1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-[(3R)-thiolan-3-yl]urea
CID 97453265
4-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673647
1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-[(3S)-pyrrolidin-3-yl]urea
CID 126440780
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide (CID 139759857) is N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide is Cn1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is KUPHZKWSGYCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O/c1-22-12(7-13(21-22)15(17,18)19)10-6-9(16)4-5-11(10)20-14(23)8-2-3-8/h4-8H,2-3H2,1H3,(H,20,23).
What are the key properties of N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide?
N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 343.74 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 139759857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).