2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile

C18H13F3N4O — CID 18625328

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1-c1cc(C#N)cc(OCc2ccccc2)n1
InChIInChI=1S/C18H13F3N4O/c1-25-15(9-16(24-25)18(19,20)21)14-7-13(10-22)8-17(23-14)26-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3
InChIKeyHPBJEGLHFMAPMM-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.95
Rot. Bonds4

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile (PubChem CID 18625328) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile
PubChem CID18625328
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1-c1cc(C#N)cc(OCc2ccccc2)n1
InChIInChI=1S/C18H13F3N4O/c1-25-15(9-16(24-25)18(19,20)21)14-7-13(10-22)8-17(23-14)26-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3
InChIKeyHPBJEGLHFMAPMM-UHFFFAOYSA-N
XLogP3.95
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile
CID 139767301
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394342
5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
CID 91338292
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
2,4-diamino-6-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrimidine-5-carbonitrile
CID 169398663
1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 59632580
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-2-methylpyridine
CID 143533843
2-(3-phenylphenoxy)-6-(trifluoromethyl)pyridine-4-carbonitrile
CID 122517057
N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773682
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(phenylmethoxycarbonylamino)thiophene-3-carboxylic acid
CID 58191358

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile (CID 18625328) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile is Cn1nc(C(F)(F)F)cc1-c1cc(C#N)cc(OCc2ccccc2)n1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile?
The InChIKey is HPBJEGLHFMAPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-25-15(9-16(24-25)18(19,20)21)14-7-13(10-22)8-17(23-14)26-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile has a molecular weight of 358.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenylmethoxypyridine-4-carbonitrile is sourced from PubChem (CID 18625328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).