7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H12N6 — CID 4774562

IUPAC7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCn1cc(-c2ccnc3c(C#N)cnn23)c(C)n1
InChIInChI=1S/C13H12N6/c1-3-18-8-11(9(2)17-18)12-4-5-15-13-10(6-14)7-16-19(12)13/h4-5,7-8H,3H2,1-2H3
InChIKeyRMKONCNLSYNCEI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds2

About 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 4774562) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID4774562
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCn1cc(-c2ccnc3c(C#N)cnn23)c(C)n1
InChIInChI=1S/C13H12N6/c1-3-18-8-11(9(2)17-18)12-4-5-15-13-10(6-14)7-16-19(12)13/h4-5,7-8H,3H2,1-2H3
InChIKeyRMKONCNLSYNCEI-UHFFFAOYSA-N
XLogP1.79
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 4774562) is 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCn1cc(-c2ccnc3c(C#N)cnn23)c(C)n1.
What is the InChIKey of 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RMKONCNLSYNCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-3-18-8-11(9(2)17-18)12-4-5-15-13-10(6-14)7-16-19(12)13/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 4774562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).