7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H17F2N3O — CID 136841180

IUPAC7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2N3O/c1-2-10-9-19-20-13(7-8-18-14(10)20)11-3-5-12(6-4-11)21-15(16)17/h3-6,9,13,15,18H,2,7-8H2,1H3
InChIKeyOIWVMOVUACVFPF-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.45
Rot. Bonds4

About 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136841180) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136841180
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn2c1NCCC2c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2N3O/c1-2-10-9-19-20-13(7-8-18-14(10)20)11-3-5-12(6-4-11)21-15(16)17/h3-6,9,13,15,18H,2,7-8H2,1H3
InChIKeyOIWVMOVUACVFPF-UHFFFAOYSA-N
XLogP3.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3,5-dimethylphenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841233
3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841199
3-ethyl-7-(3-methylthiophen-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841205
7-[4-(difluoromethoxy)phenyl]-5-(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4174928
7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709411
7-(4-ethoxyphenyl)-2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136839069
2-ethyl-7-(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840120
4-[5-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
CID 178156441
methyl (6R)-6-[4-(difluoromethoxy)phenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694291
(5R,7R)-5-(4-chlorophenyl)-7-[4-(difluoromethoxy)phenyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1243650
1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882619
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451

Frequently Asked Questions

What is the IUPAC name of 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136841180) is 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CCc1cnn2c1NCCC2c1ccc(OC(F)F)cc1.
What is the InChIKey of 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is OIWVMOVUACVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-2-10-9-19-20-13(7-8-18-14(10)20)11-3-5-12(6-4-11)21-15(16)17/h3-6,9,13,15,18H,2,7-8H2,1H3.
What are the key properties of 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 293.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(difluoromethoxy)phenyl]-3-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136841180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).