(5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H17F2N3O — CID 136786246

IUPAC(5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc([C@H]2C[C@H](C(F)F)n3nc(C)cc3N2)cc1
InChIInChI=1S/C15H17F2N3O/c1-9-7-14-18-12(8-13(15(16)17)20(14)19-9)10-3-5-11(21-2)6-4-10/h3-7,12-13,15,18H,8H2,1-2H3/t12-,13-/m1/s1
InChIKeyHAECUXMMOOWBFU-CHWSQXEVSA-N
MW293.32 g/mol
LogP3.56
Rot. Bonds3

About (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

(5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136786246) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136786246
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc([C@H]2C[C@H](C(F)F)n3nc(C)cc3N2)cc1
InChIInChI=1S/C15H17F2N3O/c1-9-7-14-18-12(8-13(15(16)17)20(14)19-9)10-3-5-11(21-2)6-4-10/h3-7,12-13,15,18H,8H2,1-2H3/t12-,13-/m1/s1
InChIKeyHAECUXMMOOWBFU-CHWSQXEVSA-N
XLogP3.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,7S)-7-(difluoromethyl)-2,5-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135816800
2-(4-chloro-2-methylphenyl)-7-(difluoromethyl)-5-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 151226303
1-[3-[(5S,7R)-7-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 136760827
(5R,7R)-5-(4-fluorophenyl)-2-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136786238
5-(4-fluorophenyl)-2-methyl-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773134
(5S,7R)-5-(4-ethylphenyl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136786269
5-(4-methoxyphenyl)-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3827987
(5S,7S)-5-(difluoromethyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136811527
2-[4-[7-(difluoromethyl)-5-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-N-piperidin-4-ylacetamide;hydrochloride
CID 140622490
(5S,7S)-N,5-bis(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 135878988
1-[3-[(5S,7R)-7-(difluoromethyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 136760831
5-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3133809

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136786246) is (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is COc1ccc([C@H]2C[C@H](C(F)F)n3nc(C)cc3N2)cc1.
What is the InChIKey of (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is HAECUXMMOOWBFU-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-9-7-14-18-12(8-13(15(16)17)20(14)19-9)10-3-5-11(21-2)6-4-10/h3-7,12-13,15,18H,8H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
(5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 293.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136786246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).