1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine

C13H18N4 — CID 80635058

IUPAC1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-n2ccc(C)n2)nc1
InChIInChI=1S/C13H18N4/c1-3-12(14)8-11-4-5-13(15-9-11)17-7-6-10(2)16-17/h4-7,9,12H,3,8,14H2,1-2H3
InChIKeyRCPMOEZZSZNRKW-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.86
Rot. Bonds4

About 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine

1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine (PubChem CID 80635058) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
PubChem CID80635058
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-n2ccc(C)n2)nc1
InChIInChI=1S/C13H18N4/c1-3-12(14)8-11-4-5-13(15-9-11)17-7-6-10(2)16-17/h4-7,9,12H,3,8,14H2,1-2H3
InChIKeyRCPMOEZZSZNRKW-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 80634992
1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
CID 80634984
2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyridine
CID 66831246
5-(2-aminobutyl)-N-methyl-N-propylpyridin-2-amine
CID 80634035
ethyl 1-[5-(2-aminobutyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170888915
5-(2-aminobutyl)-N-ethyl-N-(4-methylphenyl)pyridin-2-amine
CID 80630089
6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 53014458
5-(2-aminobutyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 80632913
1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]butan-2-amine
CID 80629818
5-(2-aminobutyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 80634634
5-(2-aminobutyl)-N-ethyl-N-phenylpyridin-2-amine
CID 80633649
1-[6-(3,5-dimethylphenoxy)-3-pyridinyl]butan-2-amine
CID 80640337

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine (CID 80635058) is 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(-n2ccc(C)n2)nc1.
What is the InChIKey of 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine?
The InChIKey is RCPMOEZZSZNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-12(14)8-11-4-5-13(15-9-11)17-7-6-10(2)16-17/h4-7,9,12H,3,8,14H2,1-2H3.
What are the key properties of 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine?
1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80635058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).