3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine

C12H17N5 — CID 65200104

IUPAC3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)c1ccn(C)n1
InChIInChI=1S/C12H17N5/c1-14-12(11-4-6-17(2)16-11)7-9-8-15-5-3-10(9)13/h3-6,8,12,14H,7H2,1-2H3,(H2,13,15)
InChIKeyMFUYTSQNABRIQT-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.90
Rot. Bonds4

About 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine

3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine (PubChem CID 65200104) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
PubChem CID65200104
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)c1ccn(C)n1
InChIInChI=1S/C12H17N5/c1-14-12(11-4-6-17(2)16-11)7-9-8-15-5-3-10(9)13/h3-6,8,12,14H,7H2,1-2H3,(H2,13,15)
InChIKeyMFUYTSQNABRIQT-UHFFFAOYSA-N
XLogP0.90
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine
CID 65200268
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200891
3-[2-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 114330482
N,N',N'-trimethyl-1-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103131116
3-[2-(methylamino)-2-(4-propan-2-ylcyclohexyl)ethyl]pyridin-4-amine
CID 65425351
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 82810474
3-[2-(2-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 107923831
4-methoxy-N-methyl-1-(1-methylpyrazol-3-yl)pentan-1-amine
CID 103134404
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
3-[2-(ethylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-4-amine
CID 115530844
N-methyl-1-(1-methylpyrazol-3-yl)heptan-1-amine
CID 65200418

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine (CID 65200104) is 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine is CNC(Cc1cnccc1N)c1ccn(C)n1.
What is the InChIKey of 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
The InChIKey is MFUYTSQNABRIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-14-12(11-4-6-17(2)16-11)7-9-8-15-5-3-10(9)13/h3-6,8,12,14H,7H2,1-2H3,(H2,13,15).
What are the key properties of 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine?
3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 65200104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).