[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone

C17H11ClF3N3O2 — CID 1480210

IUPAC[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2cc(-c3ncc(C(F)(F)F)cc3Cl)cn2)cc1
InChIInChI=1S/C17H11ClF3N3O2/c1-26-13-4-2-10(3-5-13)16(25)24-9-11(7-23-24)15-14(18)6-12(8-22-15)17(19,20)21/h2-9H,1H3
InChIKeyIXHDEOFDHUVCFR-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.31
Rot. Bonds3

About [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone

[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 1480210) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone
PubChem CID1480210
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2cc(-c3ncc(C(F)(F)F)cc3Cl)cn2)cc1
InChIInChI=1S/C17H11ClF3N3O2/c1-26-13-4-2-10(3-5-13)16(25)24-9-11(7-23-24)15-14(18)6-12(8-22-15)17(19,20)21/h2-9H,1H3
InChIKeyIXHDEOFDHUVCFR-UHFFFAOYSA-N
XLogP4.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-methoxybenzoate
CID 1477319
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909581
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913849
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
CID 75175960
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
CID 4522761
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl] 4-methoxybenzoate
CID 110208786
2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide
CID 152542515
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
3-bromo-8-chloro-2-(4-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 3720934
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methyl-2-oxopyridine-3-carbonitrile
CID 103595987

Frequently Asked Questions

What is the IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone (CID 1480210) is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2cc(-c3ncc(C(F)(F)F)cc3Cl)cn2)cc1.
What is the InChIKey of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is IXHDEOFDHUVCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c1-26-13-4-2-10(3-5-13)16(25)24-9-11(7-23-24)15-14(18)6-12(8-22-15)17(19,20)21/h2-9H,1H3.
What are the key properties of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone?
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 381.74 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1480210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).