6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H12N4 — CID 166386487

IUPAC6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(-c2cnc3c(C#N)cnn3c2)c2ccccc12
InChIInChI=1S/C18H12N4/c1-12-6-7-16(17-5-3-2-4-15(12)17)14-9-20-18-13(8-19)10-21-22(18)11-14/h2-7,9-11H,1H3
InChIKeyXQRWDGPAQGLKOK-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.73
Rot. Bonds1

About 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 166386487) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID166386487
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(-c2cnc3c(C#N)cnn3c2)c2ccccc12
InChIInChI=1S/C18H12N4/c1-12-6-7-16(17-5-3-2-4-15(12)17)14-9-20-18-13(8-19)10-21-22(18)11-14/h2-7,9-11H,1H3
InChIKeyXQRWDGPAQGLKOK-UHFFFAOYSA-N
XLogP3.73
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 170568244
N,N-dimethyl-2-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethanamine
CID 145001857
6-(cyclopenten-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167966199
CID 170568234
CID 170568234
ethane;formaldehyde;methanamine;3-[4-[3-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]oxetan-3-amine
CID 157036622
6-methyl-3-(5-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine
CID 166824971
6-(2-methylnaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 170313898
5-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carbonitrile
CID 167058490
3-(3-cyanopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 169418083
pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 819275
6-(2-cyclopropylimidazo[1,2-a]pyridin-7-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 166387695
13-methyl-12-oxido-2,6,7-triaza-12-azoniatricyclo[7.4.0.03,7]trideca-1,3,5,8,10,12-hexaene-4-carbonitrile
CID 11775830

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 166386487) is 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1ccc(-c2cnc3c(C#N)cnn3c2)c2ccccc12.
What is the InChIKey of 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is XQRWDGPAQGLKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4/c1-12-6-7-16(17-5-3-2-4-15(12)17)14-9-20-18-13(8-19)10-21-22(18)11-14/h2-7,9-11H,1H3.
What are the key properties of 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylnaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 166386487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).