[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol

C15H15ClF3N3O — CID 2884791

IUPAC[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESCc1ccc(C2CC(C(F)(F)F)n3nc(CO)c(Cl)c3N2)cc1
InChIInChI=1S/C15H15ClF3N3O/c1-8-2-4-9(5-3-8)10-6-12(15(17,18)19)22-14(20-10)13(16)11(7-23)21-22/h2-5,10,12,20,23H,6-7H2,1H3
InChIKeyZQQZMXWRKVVNBH-UHFFFAOYSA-N
MW345.75 g/mol
LogP4.00
Rot. Bonds2

About [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol

[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol (PubChem CID 2884791) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
PubChem CID2884791
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
SMILESCc1ccc(C2CC(C(F)(F)F)n3nc(CO)c(Cl)c3N2)cc1
InChIInChI=1S/C15H15ClF3N3O/c1-8-2-4-9(5-3-8)10-6-12(15(17,18)19)22-14(20-10)13(16)11(7-23)21-22/h2-5,10,12,20,23H,6-7H2,1H3
InChIKeyZQQZMXWRKVVNBH-UHFFFAOYSA-N
XLogP4.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The IUPAC name of [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol (CID 2884791) is [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol.
What is the SMILES notation for [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The canonical SMILES for [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol is Cc1ccc(C2CC(C(F)(F)F)n3nc(CO)c(Cl)c3N2)cc1.
What is the InChIKey of [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol?
The InChIKey is ZQQZMXWRKVVNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-8-2-4-9(5-3-8)10-6-12(15(17,18)19)22-14(20-10)13(16)11(7-23)21-22/h2-5,10,12,20,23H,6-7H2,1H3.
What are the key properties of [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol?
[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol has a molecular weight of 345.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol is sourced from PubChem (CID 2884791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).