N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

C17H15F3N4 — CID 133449167

IUPACN-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCn1cc(CNc2cccc(C(F)(F)F)n2)c(-c2ccccc2)n1
InChIInChI=1S/C17H15F3N4/c1-24-11-13(16(23-24)12-6-3-2-4-7-12)10-21-15-9-5-8-14(22-15)17(18,19)20/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyONFZZQICKPAGKQ-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.11
Rot. Bonds4

About N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 133449167) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID133449167
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCn1cc(CNc2cccc(C(F)(F)F)n2)c(-c2ccccc2)n1
InChIInChI=1S/C17H15F3N4/c1-24-11-13(16(23-24)12-6-3-2-4-7-12)10-21-15-9-5-8-14(22-15)17(18,19)20/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyONFZZQICKPAGKQ-UHFFFAOYSA-N
XLogP4.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133449263
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2,6-dinitro-4-(trifluoromethyl)aniline
CID 133449248
6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
CID 133449091
4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 133449053
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 133449070
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 99835543
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline
CID 133449244
3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 133475736
6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133449223
N-[[4-(chloromethyl)phenyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 107233089
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 62315277

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 133449167) is N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is Cn1cc(CNc2cccc(C(F)(F)F)n2)c(-c2ccccc2)n1.
What is the InChIKey of N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ONFZZQICKPAGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c1-24-11-13(16(23-24)12-6-3-2-4-7-12)10-21-15-9-5-8-14(22-15)17(18,19)20/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 332.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133449167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).