4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile

C12H12N4 — CID 123655350

IUPAC4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1nn(C)c(C)c1-c1ccncc1C#N
InChIInChI=1S/C12H12N4/c1-8-12(9(2)16(3)15-8)11-4-5-14-7-10(11)6-13/h4-5,7H,1-3H3
InChIKeyIURPZGHIUKIAJJ-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.97
Rot. Bonds1

About 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile

4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile (PubChem CID 123655350) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
PubChem CID123655350
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile
SMILESCc1nn(C)c(C)c1-c1ccncc1C#N
InChIInChI=1S/C12H12N4/c1-8-12(9(2)16(3)15-8)11-4-5-14-7-10(11)6-13/h4-5,7H,1-3H3
InChIKeyIURPZGHIUKIAJJ-UHFFFAOYSA-N
XLogP1.97
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile (CID 123655350) is 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile is Cc1nn(C)c(C)c1-c1ccncc1C#N.
What is the InChIKey of 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is IURPZGHIUKIAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-12(9(2)16(3)15-8)11-4-5-14-7-10(11)6-13/h4-5,7H,1-3H3.
What are the key properties of 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile?
4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 123655350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).