6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H15FN4 — CID 4091279

IUPAC6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc2c(C#N)c(C)nn2c(C)c1Cc1cccc(F)c1
InChIInChI=1S/C17H15FN4/c1-10-15(8-13-5-4-6-14(18)7-13)12(3)22-17(20-10)16(9-19)11(2)21-22/h4-7H,8H2,1-3H3
InChIKeyGUWCXULRQSWNIH-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.26
Rot. Bonds2

About 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4091279) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4091279
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc2c(C#N)c(C)nn2c(C)c1Cc1cccc(F)c1
InChIInChI=1S/C17H15FN4/c1-10-15(8-13-5-4-6-14(18)7-13)12(3)22-17(20-10)16(9-19)11(2)21-22/h4-7H,8H2,1-3H3
InChIKeyGUWCXULRQSWNIH-UHFFFAOYSA-N
XLogP3.26
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4091279) is 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nc2c(C#N)c(C)nn2c(C)c1Cc1cccc(F)c1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is GUWCXULRQSWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c1-10-15(8-13-5-4-6-14(18)7-13)12(3)22-17(20-10)16(9-19)11(2)21-22/h4-7H,8H2,1-3H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 294.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4091279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).