7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C9H7ClN4 — CID 82274189

IUPAC7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(Cl)n2nc(C)c(C#N)c2n1
InChIInChI=1S/C9H7ClN4/c1-5-3-8(10)14-9(12-5)7(4-11)6(2)13-14/h3H,1-2H3
InChIKeyZCOBOGNVKKWETF-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.87
Rot. Bonds

About 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 82274189) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID82274189
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(Cl)n2nc(C)c(C#N)c2n1
InChIInChI=1S/C9H7ClN4/c1-5-3-8(10)14-9(12-5)7(4-11)6(2)13-14/h3H,1-2H3
InChIKeyZCOBOGNVKKWETF-UHFFFAOYSA-N
XLogP1.87
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 82274189) is 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(Cl)n2nc(C)c(C#N)c2n1.
What is the InChIKey of 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is ZCOBOGNVKKWETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c1-5-3-8(10)14-9(12-5)7(4-11)6(2)13-14/h3H,1-2H3.
What are the key properties of 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 206.64 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 82274189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).