2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine

C13H18N4 — CID 105158663

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCc1cncc(C(N)Cc2cc(C)nn2C)c1
InChIInChI=1S/C13H18N4/c1-9-4-11(8-15-7-9)13(14)6-12-5-10(2)16-17(12)3/h4-5,7-8,13H,6,14H2,1-3H3
InChIKeyXNIZRPNPQFMBCZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.67
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 105158663) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID105158663
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCc1cncc(C(N)Cc2cc(C)nn2C)c1
InChIInChI=1S/C13H18N4/c1-9-4-11(8-15-7-9)13(14)6-12-5-10(2)16-17(12)3/h4-5,7-8,13H,6,14H2,1-3H3
InChIKeyXNIZRPNPQFMBCZ-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105180396
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine
CID 106848714
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996300
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 104996061
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105177749
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine (CID 105158663) is 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine is Cc1cncc(C(N)Cc2cc(C)nn2C)c1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is XNIZRPNPQFMBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-4-11(8-15-7-9)13(14)6-12-5-10(2)16-17(12)3/h4-5,7-8,13H,6,14H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105158663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).