6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile

C10H9N5 — CID 118560350

IUPAC6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2ccc(N)n2)nc1
InChIInChI=1S/C10H9N5/c11-5-8-1-2-9(13-6-8)7-15-4-3-10(12)14-15/h1-4,6H,7H2,(H2,12,14)
InChIKeyQTHVDOIRDJQUFU-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.78
Rot. Bonds2

About 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile

6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile (PubChem CID 118560350) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile
PubChem CID118560350
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2ccc(N)n2)nc1
InChIInChI=1S/C10H9N5/c11-5-8-1-2-9(13-6-8)7-15-4-3-10(12)14-15/h1-4,6H,7H2,(H2,12,14)
InChIKeyQTHVDOIRDJQUFU-UHFFFAOYSA-N
XLogP0.78
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile (CID 118560350) is 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2ccc(N)n2)nc1.
What is the InChIKey of 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile?
The InChIKey is QTHVDOIRDJQUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-5-8-1-2-9(13-6-8)7-15-4-3-10(12)14-15/h1-4,6H,7H2,(H2,12,14).
What are the key properties of 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile?
6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminopyrazol-1-yl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118560350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).