N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine

C12H16N4 — CID 82540595

IUPACN-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
SMILESCNC(C)c1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C12H16N4/c1-9(13-2)10-4-11(6-14-5-10)12-7-15-16(3)8-12/h4-9,13H,1-3H3
InChIKeyJSIJODWEYNBZDY-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.76
Rot. Bonds3

About N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine

N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine (PubChem CID 82540595) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
PubChem CID82540595
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
SMILESCNC(C)c1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C12H16N4/c1-9(13-2)10-4-11(6-14-5-10)12-7-15-16(3)8-12/h4-9,13H,1-3H3
InChIKeyJSIJODWEYNBZDY-UHFFFAOYSA-N
XLogP1.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
CID 82542206
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
5-[(2R)-2-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]propyl]-2-(5-propan-2-yl-3-pyridinyl)-1,3-thiazole
CID 156522857
N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline
CID 82540354
5-(1-methylpyrazol-4-yl)pyridine-3-carbohydrazide
CID 175442259
(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine
CID 82534296
6-(2,3-diethyl-1-benzofuran-5-yl)-2-methyl-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]pyrimidin-4-amine
CID 175167908
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
3-(difluoromethyl)-5-(1-methylpyrazol-4-yl)aniline
CID 171394100

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine (CID 82540595) is N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine is CNC(C)c1cncc(-c2cnn(C)c2)c1.
What is the InChIKey of N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?
The InChIKey is JSIJODWEYNBZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(13-2)10-4-11(6-14-5-10)12-7-15-16(3)8-12/h4-9,13H,1-3H3.
What are the key properties of N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine?
N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 82540595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).