7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H8F2N4 — CID 4766960

IUPAC7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H8F2N4/c15-13(16)12-6-11(9-4-2-1-3-5-9)19-14-10(7-17)8-18-20(12)14/h1-6,8,13H
InChIKeyNLHGSFWOAJQUDT-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.21
Rot. Bonds2

About 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4766960) has the molecular formula C14H8F2N4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4766960
Molecular FormulaC14H8F2N4
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H8F2N4/c15-13(16)12-6-11(9-4-2-1-3-5-9)19-14-10(7-17)8-18-20(12)14/h1-6,8,13H
InChIKeyNLHGSFWOAJQUDT-UHFFFAOYSA-N
XLogP3.21
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zaleplon
CID 5719
3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
R121919
CID 9821250
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
Decoglurant
CID 71533696
(R)-Zinc-3573
CID 95882507
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
2-(Cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779675
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4766960) is 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is NLHGSFWOAJQUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4/c15-13(16)12-6-11(9-4-2-1-3-5-9)19-14-10(7-17)8-18-20(12)14/h1-6,8,13H.
What are the key properties of 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 270.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4766960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).