4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C11H8ClF3N4O — CID 63107427

IUPAC4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N4O/c12-6-3-1-2-5(11(13,14)15)8(6)18-10(20)9-7(16)4-17-19-9/h1-4H,16H2,(H,17,19)(H,18,20)
InChIKeyLUMVZGDEXZXWDF-UHFFFAOYSA-N
MW304.66 g/mol
LogP2.92
Rot. Bonds2

About 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 63107427) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID63107427
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H8ClF3N4O/c12-6-3-1-2-5(11(13,14)15)8(6)18-10(20)9-7(16)4-17-19-9/h1-4H,16H2,(H,17,19)(H,18,20)
InChIKeyLUMVZGDEXZXWDF-UHFFFAOYSA-N
XLogP2.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
4-amino-N-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 63107036
4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63105942
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43643197
N-[2-chloro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 158004002
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
4-amino-N-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 55178983
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
CID 43152515

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 63107427) is 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LUMVZGDEXZXWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-6-3-1-2-5(11(13,14)15)8(6)18-10(20)9-7(16)4-17-19-9/h1-4H,16H2,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 304.66 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63107427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).