1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine

C14H20N4 — CID 80634984

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C14H20N4/c1-4-13(15)8-12-5-6-14(16-9-12)18-11(3)7-10(2)17-18/h5-7,9,13H,4,8,15H2,1-3H3
InChIKeyWOKVHQQDLRSABF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.16
Rot. Bonds4

About 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine

1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine (PubChem CID 80634984) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
PubChem CID80634984
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C14H20N4/c1-4-13(15)8-12-5-6-14(16-9-12)18-11(3)7-10(2)17-18/h5-7,9,13H,4,8,15H2,1-3H3
InChIKeyWOKVHQQDLRSABF-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide
CID 95974510
1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
CID 80635058
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)methanamine
CID 47052510
2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669656
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111053202
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3,5-difluorobenzenesulfonamide
CID 47065133
1-[5-(2-aminobutyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 80634992
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
CID 133482153
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-hexylguanidine;hydroiodide
CID 111053216
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969794

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine (CID 80634984) is 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine?
The InChIKey is WOKVHQQDLRSABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-13(15)8-12-5-6-14(16-9-12)18-11(3)7-10(2)17-18/h5-7,9,13H,4,8,15H2,1-3H3.
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine?
1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80634984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).