4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide

C12H10F4N4O — CID 65359614

IUPAC4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H10F4N4O/c1-20-10(8(17)5-18-20)11(21)19-9-4-6(12(14,15)16)2-3-7(9)13/h2-5H,17H2,1H3,(H,19,21)
InChIKeyPHXRIOPIMIBYSU-UHFFFAOYSA-N
MW302.23 g/mol
LogP2.41
Rot. Bonds2

About 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide

4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 65359614) has the molecular formula C12H10F4N4O and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID65359614
Molecular FormulaC12H10F4N4O
Molecular Weight302.23 g/mol
Exact Mass302.08
IUPAC Name4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H10F4N4O/c1-20-10(8(17)5-18-20)11(21)19-9-4-6(12(14,15)16)2-3-7(9)13/h2-5H,17H2,1H3,(H,19,21)
InChIKeyPHXRIOPIMIBYSU-UHFFFAOYSA-N
XLogP2.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330823
4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355912
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 63038394
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65356207
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 63036682
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide (CID 65359614) is 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is PHXRIOPIMIBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4O/c1-20-10(8(17)5-18-20)11(21)19-9-4-6(12(14,15)16)2-3-7(9)13/h2-5H,17H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 302.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).