N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide

C12H9ClF3N3O2 — CID 56790133

IUPACN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C12H9ClF3N3O2/c13-7-1-2-8(10(5-7)21-6-12(14,15)16)18-11(20)9-3-4-17-19-9/h1-5H,6H2,(H,17,19)(H,18,20)
InChIKeyATFULTHCRMVERG-UHFFFAOYSA-N
MW319.67 g/mol
LogP3.26
Rot. Bonds4

About N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide

N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 56790133) has the molecular formula C12H9ClF3N3O2 and a molecular weight of 319.67 g/mol. Its IUPAC name is N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID56790133
Molecular FormulaC12H9ClF3N3O2
Molecular Weight319.67 g/mol
Exact Mass319.03
IUPAC NameN-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C12H9ClF3N3O2/c13-7-1-2-8(10(5-7)21-6-12(14,15)16)18-11(20)9-3-4-17-19-9/h1-5H,6H2,(H,17,19)(H,18,20)
InChIKeyATFULTHCRMVERG-UHFFFAOYSA-N
XLogP3.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide 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

N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 16678665
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119785490
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
4-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673647
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 56790130
N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide
CID 157116190
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 37176133

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 56790133) is N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ATFULTHCRMVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2/c13-7-1-2-8(10(5-7)21-6-12(14,15)16)18-11(20)9-3-4-17-19-9/h1-5H,6H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide?
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 319.67 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56790133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).