2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine

C13H18N4 — CID 79042080

IUPAC2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ncccc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H18N4/c1-9-12(11(3)17(4)16-9)8-15-13-6-5-7-14-10(13)2/h5-7,15H,8H2,1-4H3
InChIKeyWCDSKCMXRHKLTB-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.35
Rot. Bonds3

About 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine

2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine (PubChem CID 79042080) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
PubChem CID79042080
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
SMILESCc1ncccc1NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H18N4/c1-9-12(11(3)17(4)16-9)8-15-13-6-5-7-14-10(13)2/h5-7,15H,8H2,1-4H3
InChIKeyWCDSKCMXRHKLTB-UHFFFAOYSA-N
XLogP2.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 100619549
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
CID 79223061
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139
2-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43718106
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 126842216
2-(ethoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43750254
2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 43580157
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 79041847
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 79041862
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine (CID 79042080) is 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine is Cc1ncccc1NCc1c(C)nn(C)c1C.
What is the InChIKey of 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is WCDSKCMXRHKLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-12(11(3)17(4)16-9)8-15-13-6-5-7-14-10(13)2/h5-7,15H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine?
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 79042080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).