5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H7F3N3O2- — CID 6945421

IUPAC5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C([O-])c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)19-12-9(13(21)22)7-18-20(11)12/h1-7H,(H,21,22)/p-1
InChIKeyISTITOKMPPPWKZ-UHFFFAOYSA-M
MW306.22 g/mol
LogP1.78
Rot. Bonds2

About 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 6945421) has the molecular formula C14H7F3N3O2- and a molecular weight of 306.22 g/mol. Its IUPAC name is 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Name5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID6945421
Molecular FormulaC14H7F3N3O2-
Molecular Weight306.22 g/mol
Exact Mass306.05
IUPAC Name5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C([O-])c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)19-12-9(13(21)22)7-18-20(11)12/h1-7H,(H,21,22)/p-1
InChIKeyISTITOKMPPPWKZ-UHFFFAOYSA-M
XLogP1.78
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975267
7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
CU-CPT-8m
CID 15042086
(7-Difluoromethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl)-thiomorpholin-4-yl-methanone
CID 655220
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
2-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 975205
7-(difluoromethyl)-N-(4-ethylphenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1093969
Ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 1111210
N-(4-sec-butylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2946351
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 689154
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 6945421) is 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is O=C([O-])c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is ISTITOKMPPPWKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)11-6-10(8-4-2-1-3-5-8)19-12-9(13(21)22)7-18-20(11)12/h1-7H,(H,21,22)/p-1.
What are the key properties of 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 306.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 6945421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).