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

C8H5ClN4 — CID 14950761

IUPAC7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(Cl)n2ncc(C#N)c2n1
InChIInChI=1S/C8H5ClN4/c1-5-2-7(9)13-8(12-5)6(3-10)4-11-13/h2,4H,1H3
InChIKeyFZHJDKNVOBPMFQ-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.56
Rot. Bonds

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

7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 14950761) has the molecular formula C8H5ClN4 and a molecular weight of 192.61 g/mol. Its IUPAC name is 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID14950761
Molecular FormulaC8H5ClN4
Molecular Weight192.61 g/mol
Exact Mass192.02
IUPAC Name7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(Cl)n2ncc(C#N)c2n1
InChIInChI=1S/C8H5ClN4/c1-5-2-7(9)13-8(12-5)6(3-10)4-11-13/h2,4H,1H3
InChIKeyFZHJDKNVOBPMFQ-UHFFFAOYSA-N
XLogP1.56
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 14950761) is 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(Cl)n2ncc(C#N)c2n1.
What is the InChIKey of 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is FZHJDKNVOBPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4/c1-5-2-7(9)13-8(12-5)6(3-10)4-11-13/h2,4H,1H3.
What are the key properties of 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 192.61 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 14950761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).