5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

C13H7ClF3N3 — CID 59662442

IUPAC5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cnn3ccc(Cl)nc23)c1
InChIInChI=1S/C13H7ClF3N3/c14-11-4-5-20-12(19-11)10(7-18-20)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKeyPXJQMMYOHLSPON-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.07
Rot. Bonds1

About 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 59662442) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID59662442
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cnn3ccc(Cl)nc23)c1
InChIInChI=1S/C13H7ClF3N3/c14-11-4-5-20-12(19-11)10(7-18-20)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKeyPXJQMMYOHLSPON-UHFFFAOYSA-N
XLogP4.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 66615220
N-(1,1-dioxothian-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 118720919
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 154311532
8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 70654559
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134617505
5,7-dichloro-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 89389879
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpyrazolo[1,5-a]pyrimidine
CID 1478940
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 59662442) is 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cccc(-c2cnn3ccc(Cl)nc23)c1.
What is the InChIKey of 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is PXJQMMYOHLSPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-11-4-5-20-12(19-11)10(7-18-20)8-2-1-3-9(6-8)13(15,16)17/h1-7H.
What are the key properties of 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 297.67 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59662442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).