3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile

C12H10N4 — CID 114287794

IUPAC3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H10N4/c13-7-10-3-5-14-8-12(10)16-6-4-11(15-16)9-1-2-9/h3-6,8-9H,1-2H2
InChIKeyBROHCFFLTJBNPV-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.02
Rot. Bonds2

About 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile

3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile (PubChem CID 114287794) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile
PubChem CID114287794
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccncc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H10N4/c13-7-10-3-5-14-8-12(10)16-6-4-11(15-16)9-1-2-9/h3-6,8-9H,1-2H2
InChIKeyBROHCFFLTJBNPV-UHFFFAOYSA-N
XLogP2.02
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile (CID 114287794) is 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile is N#Cc1ccncc1-n1ccc(C2CC2)n1.
What is the InChIKey of 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile?
The InChIKey is BROHCFFLTJBNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-7-10-3-5-14-8-12(10)16-6-4-11(15-16)9-1-2-9/h3-6,8-9H,1-2H2.
What are the key properties of 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile?
3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 114287794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).