(5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol

C9H9F6N3O2 — CID 1329418

IUPAC(5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol
SMILESCc1cc2n(n1)[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)N2
InChIInChI=1S/C9H9F6N3O2/c1-4-2-5-16-6(19,8(10,11)12)3-7(20,9(13,14)15)18(5)17-4/h2,16,19-20H,3H2,1H3/t6-,7+/m0/s1
InChIKeyUUONNMIEVWELAI-NKWVEPMBSA-N
MW305.18 g/mol
LogP1.47
Rot. Bonds

About (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol

(5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol (PubChem CID 1329418) has the molecular formula C9H9F6N3O2 and a molecular weight of 305.18 g/mol. Its IUPAC name is (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol.

Molecular Properties

Compound Name(5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol
PubChem CID1329418
Molecular FormulaC9H9F6N3O2
Molecular Weight305.18 g/mol
Exact Mass305.06
IUPAC Name(5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol
SMILESCc1cc2n(n1)[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)N2
InChIInChI=1S/C9H9F6N3O2/c1-4-2-5-16-6(19,8(10,11)12)3-7(20,9(13,14)15)18(5)17-4/h2,16,19-20H,3H2,1H3/t6-,7+/m0/s1
InChIKeyUUONNMIEVWELAI-NKWVEPMBSA-N
XLogP1.47
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol?
The IUPAC name of (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol (CID 1329418) is (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol.
What is the SMILES notation for (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol?
The canonical SMILES for (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol is Cc1cc2n(n1)[C@](O)(C(F)(F)F)C[C@](O)(C(F)(F)F)N2.
What is the InChIKey of (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol?
The InChIKey is UUONNMIEVWELAI-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H9F6N3O2/c1-4-2-5-16-6(19,8(10,11)12)3-7(20,9(13,14)15)18(5)17-4/h2,16,19-20H,3H2,1H3/t6-,7+/m0/s1.
What are the key properties of (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol?
(5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol has a molecular weight of 305.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-2-methyl-5,7-bis(trifluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrimidine-5,7-diol is sourced from PubChem (CID 1329418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).