4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile

C12H13N5 — CID 113229421

IUPAC4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCn2cccn2)ccn1
InChIInChI=1S/C12H13N5/c13-10-12-9-11(3-6-15-12)14-4-1-7-17-8-2-5-16-17/h2-3,5-6,8-9H,1,4,7H2,(H,14,15)
InChIKeyQVJAXHZDIJGXKK-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.65
Rot. Bonds5

About 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile

4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile (PubChem CID 113229421) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
PubChem CID113229421
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCCCn2cccn2)ccn1
InChIInChI=1S/C12H13N5/c13-10-12-9-11(3-6-15-12)14-4-1-7-17-8-2-5-16-17/h2-3,5-6,8-9H,1,4,7H2,(H,14,15)
InChIKeyQVJAXHZDIJGXKK-UHFFFAOYSA-N
XLogP1.65
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
CID 55136840
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
CID 62925537
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 80681842
4-amino-3-(3-pyrazol-1-ylpropylamino)benzonitrile
CID 104712294
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile
CID 61491902

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile (CID 113229421) is 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile is N#Cc1cc(NCCCn2cccn2)ccn1.
What is the InChIKey of 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile?
The InChIKey is QVJAXHZDIJGXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-10-12-9-11(3-6-15-12)14-4-1-7-17-8-2-5-16-17/h2-3,5-6,8-9H,1,4,7H2,(H,14,15).
What are the key properties of 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile?
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 113229421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).