4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile

C12H13N5 — CID 80681842

IUPAC4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1cc(CCNc2ccnc(C#N)c2)cn1
InChIInChI=1S/C12H13N5/c1-17-9-10(8-16-17)2-4-14-11-3-5-15-12(6-11)7-13/h3,5-6,8-9H,2,4H2,1H3,(H,14,15)
InChIKeyJNCNJYACXIGJKJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.34
Rot. Bonds4

About 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile

4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 80681842) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID80681842
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1cc(CCNc2ccnc(C#N)c2)cn1
InChIInChI=1S/C12H13N5/c1-17-9-10(8-16-17)2-4-14-11-3-5-15-12(6-11)7-13/h3,5-6,8-9H,2,4H2,1H3,(H,14,15)
InChIKeyJNCNJYACXIGJKJ-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

2-[2-(1-methylpyrazol-4-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107544896
4-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbonitrile
CID 62926735
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753
3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
3-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103688607
3-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103015173
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
3-bromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103747961
4-(3-pyrazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 113229421
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 103000802
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile (CID 80681842) is 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile is Cn1cc(CCNc2ccnc(C#N)c2)cn1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is JNCNJYACXIGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-17-9-10(8-16-17)2-4-14-11-3-5-15-12(6-11)7-13/h3,5-6,8-9H,2,4H2,1H3,(H,14,15).
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile?
4-[2-(1-methylpyrazol-4-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 4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 80681842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).