5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile

C12H13N5 — CID 104626517

IUPAC5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1ccc(CCNc2ccc(C#N)nc2)n1
InChIInChI=1S/C12H13N5/c1-17-7-5-10(16-17)4-6-14-12-3-2-11(8-13)15-9-12/h2-3,5,7,9,14H,4,6H2,1H3
InChIKeyYUQCQLKCMRPCJW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.34
Rot. Bonds4

About 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile

5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 104626517) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID104626517
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1ccc(CCNc2ccc(C#N)nc2)n1
InChIInChI=1S/C12H13N5/c1-17-7-5-10(16-17)4-6-14-12-3-2-11(8-13)15-9-12/h2-3,5,7,9,14H,4,6H2,1H3
InChIKeyYUQCQLKCMRPCJW-UHFFFAOYSA-N
XLogP1.34
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 104918240
2-amino-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 106103978
5-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 79829755
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555
5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
CID 164632004
4-[2-(1-methylpyrazol-3-yl)ethylamino]-2-nitrobenzonitrile
CID 106105147
N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 106105462
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521
2-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 104626482
1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one
CID 106105494
5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 79840155

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile (CID 104626517) is 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile is Cn1ccc(CCNc2ccc(C#N)nc2)n1.
What is the InChIKey of 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is YUQCQLKCMRPCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-17-7-5-10(16-17)4-6-14-12-3-2-11(8-13)15-9-12/h2-3,5,7,9,14H,4,6H2,1H3.
What are the key properties of 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile?
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 104626517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).