7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H9ClN4 — CID 141214990

IUPAC7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2c(-c3ccc(Cl)cc3)ccnc2c1C#N
InChIInChI=1S/C14H9ClN4/c1-9-12(8-16)14-17-7-6-13(19(14)18-9)10-2-4-11(15)5-3-10/h2-7H,1H3
InChIKeyQWRZWSKROKOPNQ-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.23
Rot. Bonds1

About 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 141214990) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID141214990
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2c(-c3ccc(Cl)cc3)ccnc2c1C#N
InChIInChI=1S/C14H9ClN4/c1-9-12(8-16)14-17-7-6-13(19(14)18-9)10-2-4-11(15)5-3-10/h2-7H,1H3
InChIKeyQWRZWSKROKOPNQ-UHFFFAOYSA-N
XLogP3.23
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 141214990) is 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nn2c(-c3ccc(Cl)cc3)ccnc2c1C#N.
What is the InChIKey of 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is QWRZWSKROKOPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c1-9-12(8-16)14-17-7-6-13(19(14)18-9)10-2-4-11(15)5-3-10/h2-7H,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 268.71 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 141214990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).