2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile

C19H15F3N4 — CID 133449070

IUPAC2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile
SMILESCn1cc(CNc2ccc(C(F)(F)F)cc2C#N)c(-c2ccccc2)n1
InChIInChI=1S/C19H15F3N4/c1-26-12-15(18(25-26)13-5-3-2-4-6-13)11-24-17-8-7-16(19(20,21)22)9-14(17)10-23/h2-9,12,24H,11H2,1H3
InChIKeyIFBJGJJCPBCFJA-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.59
Rot. Bonds4

About 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile

2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile (PubChem CID 133449070) has the molecular formula C19H15F3N4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile
PubChem CID133449070
Molecular FormulaC19H15F3N4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile
SMILESCn1cc(CNc2ccc(C(F)(F)F)cc2C#N)c(-c2ccccc2)n1
InChIInChI=1S/C19H15F3N4/c1-26-12-15(18(25-26)13-5-3-2-4-6-13)11-24-17-8-7-16(19(20,21)22)9-14(17)10-23/h2-9,12,24H,11H2,1H3
InChIKeyIFBJGJJCPBCFJA-UHFFFAOYSA-N
XLogP4.59
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 133449053
2-[(1-methylpyrazol-3-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 82873879
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2,6-dinitro-4-(trifluoromethyl)aniline
CID 133449248
2-[(1-methylpyrrol-2-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 115693890
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 62117165
2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 133373774
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline
CID 133449244
4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449169
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 133449167
6-fluoro-8-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449212
5-chloro-2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112669739
2-(benzylamino)-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 69108068

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile (CID 133449070) is 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile is Cn1cc(CNc2ccc(C(F)(F)F)cc2C#N)c(-c2ccccc2)n1.
What is the InChIKey of 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile?
The InChIKey is IFBJGJJCPBCFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4/c1-26-12-15(18(25-26)13-5-3-2-4-6-13)11-24-17-8-7-16(19(20,21)22)9-14(17)10-23/h2-9,12,24H,11H2,1H3.
What are the key properties of 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile?
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile has a molecular weight of 356.35 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 133449070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).