5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

C18H9ClF3N3O — CID 7020408

IUPAC5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
SMILESO=C(Cl)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12
InChIInChI=1S/C18H9ClF3N3O/c19-16(26)13-9-23-25-15(18(20,21)22)8-14(24-17(13)25)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKeyKZUGOAZNENCWQC-UHFFFAOYSA-N
MW375.74 g/mol
LogP4.95
Rot. Bonds2

About 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (PubChem CID 7020408) has the molecular formula C18H9ClF3N3O and a molecular weight of 375.74 g/mol. Its IUPAC name is 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride.

Molecular Properties

Compound Name5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
PubChem CID7020408
Molecular FormulaC18H9ClF3N3O
Molecular Weight375.74 g/mol
Exact Mass375.04
IUPAC Name5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
SMILESO=C(Cl)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12
InChIInChI=1S/C18H9ClF3N3O/c19-16(26)13-9-23-25-15(18(20,21)22)8-14(24-17(13)25)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKeyKZUGOAZNENCWQC-UHFFFAOYSA-N
XLogP4.95
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-naphthalen-1-yl-N-prop-2-enyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460160
N-cycloheptyl-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460161
3,4-dihydro-1H-isoquinolin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4770796
(2-methyl-2,3-dihydroindol-1-yl)-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4771282
5-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460174
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4769353
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460145
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19461919
[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19441656
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460204
methyl 3-chloro-6-[[5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19461964
5-naphthalen-1-yl-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19461927

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The IUPAC name of 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride (CID 7020408) is 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride.
What is the SMILES notation for 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The canonical SMILES for 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride is O=C(Cl)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12.
What is the InChIKey of 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
The InChIKey is KZUGOAZNENCWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF3N3O/c19-16(26)13-9-23-25-15(18(20,21)22)8-14(24-17(13)25)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H.
What are the key properties of 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride?
5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride has a molecular weight of 375.74 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride is sourced from PubChem (CID 7020408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).