5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

C12H9F3N4 — CID 22309905

IUPAC5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESCn1nc(-c2cccc(C(F)(F)F)c2)c(C#N)c1N
InChIInChI=1S/C12H9F3N4/c1-19-11(17)9(6-16)10(18-19)7-3-2-4-8(5-7)12(13,14)15/h2-5H,17H2,1H3
InChIKeyAAMTXXCTTIKRKI-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.56
Rot. Bonds1

About 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (PubChem CID 22309905) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
PubChem CID22309905
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
SMILESCn1nc(-c2cccc(C(F)(F)F)c2)c(C#N)c1N
InChIInChI=1S/C12H9F3N4/c1-19-11(17)9(6-16)10(18-19)7-3-2-4-8(5-7)12(13,14)15/h2-5H,17H2,1H3
InChIKeyAAMTXXCTTIKRKI-UHFFFAOYSA-N
XLogP2.56
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3400568
5-amino-1-tert-butyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 24902916
3-amino-2-[3-(trifluoromethyl)phenyl]benzonitrile
CID 134630743
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928
5-amino-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 22310003
3-(4-bromophenyl)-1-methyl-4-[[3-(trifluoromethyl)phenyl]diazenyl]pyrazol-5-amine
CID 4074477
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 83216484
2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62226776
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 63616784
5-amino-3-(3-fluorophenyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
CID 22309822
4-hydroxy-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 131743309
5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile (CID 22309905) is 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is Cn1nc(-c2cccc(C(F)(F)F)c2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
The InChIKey is AAMTXXCTTIKRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c1-19-11(17)9(6-16)10(18-19)7-3-2-4-8(5-7)12(13,14)15/h2-5H,17H2,1H3.
What are the key properties of 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile?
5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile has a molecular weight of 266.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 22309905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).