7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C14H15F2N3 — CID 136840476

IUPAC7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)NCCC2C(F)F
InChIInChI=1S/C14H15F2N3/c1-9-12(10-5-3-2-4-6-10)14-17-8-7-11(13(15)16)19(14)18-9/h2-6,11,13,17H,7-8H2,1H3
InChIKeySZNKERBPPHEJFR-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.48
Rot. Bonds2

About 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136840476) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136840476
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)NCCC2C(F)F
InChIInChI=1S/C14H15F2N3/c1-9-12(10-5-3-2-4-6-10)14-17-8-7-11(13(15)16)19(14)18-9/h2-6,11,13,17H,7-8H2,1H3
InChIKeySZNKERBPPHEJFR-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(difluoromethyl)-3-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838113
2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840482
3-bromo-7-(dimethoxymethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841619
3-bromo-2-tert-butyl-7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012081
(7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 135968784
7-methyl-2-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709519
(7R)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 26182228
3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine
CID 3030387
7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136688006
ethyl 7-(difluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136688030
5-(4-fluorophenyl)-2-methyl-3-phenyl-7-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17121149
(9S)-2-methyl-3-phenyl-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
CID 135817084

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136840476) is 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1)NCCC2C(F)F.
What is the InChIKey of 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is SZNKERBPPHEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-9-12(10-5-3-2-4-6-10)14-17-8-7-11(13(15)16)19(14)18-9/h2-6,11,13,17H,7-8H2,1H3.
What are the key properties of 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 263.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).