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

C12H13N5 — CID 103007002

IUPAC3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1nccc1CCNc1cccnc1C#N
InChIInChI=1S/C12H13N5/c1-17-10(5-8-16-17)4-7-15-11-3-2-6-14-12(11)9-13/h2-3,5-6,8,15H,4,7H2,1H3
InChIKeyXNSQBHAPJYDIGS-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.34
Rot. Bonds4

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

3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 103007002) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID103007002
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1nccc1CCNc1cccnc1C#N
InChIInChI=1S/C12H13N5/c1-17-10(5-8-16-17)4-7-15-11-3-2-6-14-12(11)9-13/h2-3,5-6,8,15H,4,7H2,1H3
InChIKeyXNSQBHAPJYDIGS-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

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 103001068
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 104696049
2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 43433440
4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 107789369
N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 103000564
3-[4-(2,6-dimethylmorpholin-4-yl)butylamino]pyridine-2-carbonitrile
CID 136531393
2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001281
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 103007006
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinoline-4,8-diamine
CID 103004438
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 102608181
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile (CID 103007002) is 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile is Cn1nccc1CCNc1cccnc1C#N.
What is the InChIKey of 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is XNSQBHAPJYDIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-17-10(5-8-16-17)4-7-15-11-3-2-6-14-12(11)9-13/h2-3,5-6,8,15H,4,7H2,1H3.
What are the key properties of 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile?
3-[2-(2-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 3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103007002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).