1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine

C13H18N4 — CID 102803941

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)c1cn(C)nc1C
InChIInChI=1S/C13H18N4/c1-10-12(9-17(3)16-10)13(14-2)8-11-6-4-5-7-15-11/h4-7,9,13-14H,8H2,1-3H3
InChIKeyFWMQLRDQXHEOKK-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.63
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 102803941) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
PubChem CID102803941
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)c1cn(C)nc1C
InChIInChI=1S/C13H18N4/c1-10-12(9-17(3)16-10)13(14-2)8-11-6-4-5-7-15-11/h4-7,9,13-14H,8H2,1-3H3
InChIKeyFWMQLRDQXHEOKK-UHFFFAOYSA-N
XLogP1.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102803943
1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102804167
N-methyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60818162
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 65192001
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
1-(1,3-dimethylpyrazol-4-yl)-2-(furan-3-yl)-N-methylethanamine
CID 102804370
N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102812507
2-(1,3-benzothiazol-2-yl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 102804188
1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 54936986
N-methyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105158086
1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
CID 105158118
1-(1,3-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
CID 102804405

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine (CID 102803941) is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine is CNC(Cc1ccccn1)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is FWMQLRDQXHEOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-12(9-17(3)16-10)13(14-2)8-11-6-4-5-7-15-11/h4-7,9,13-14H,8H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 102803941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).