3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C19H13ClF3N3O2 — CID 16766175

IUPAC3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClF3N3O2/c1-27-10-14-17(11-4-6-12(20)7-5-11)18-24-13(15-3-2-8-28-15)9-16(19(21,22)23)26(18)25-14/h2-9H,10H2,1H3
InChIKeyYPTACAHBSFZVRD-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.47
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 16766175) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID16766175
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC Name3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClF3N3O2/c1-27-10-14-17(11-4-6-12(20)7-5-11)18-24-13(15-3-2-8-28-15)9-16(19(21,22)23)26(18)25-14/h2-9H,10H2,1H3
InChIKeyYPTACAHBSFZVRD-UHFFFAOYSA-N
XLogP5.47
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 40771635
N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2871894
3-(4-chlorophenyl)-7-(4-fluorophenyl)-2-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 141442552
2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
5-(4-bromophenyl)-2-(phenoxymethyl)-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 118986635
5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 9464099
5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1370067
[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1113767
azepan-1-yl-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1113770
[1-[3-(4-chlorophenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 56932951
3-chloro-5-(furan-2-yl)-N-(2-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4301254
3-(4-chlorophenyl)-2-(methoxymethyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56738017

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 16766175) is 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COCc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is YPTACAHBSFZVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c1-27-10-14-17(11-4-6-12(20)7-5-11)18-24-13(15-3-2-8-28-15)9-16(19(21,22)23)26(18)25-14/h2-9H,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 407.78 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(furan-2-yl)-2-(methoxymethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16766175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).