1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine

C14H26N4 — CID 55237371

IUPAC1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N1CCCC1C
InChIInChI=1S/C14H26N4/c1-5-12(15)9-13-11(3)16-17(4)14(13)18-8-6-7-10(18)2/h10,12H,5-9,15H2,1-4H3
InChIKeyKGSBZHRTMAPQBD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.00
Rot. Bonds4

About 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine

1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine (PubChem CID 55237371) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine
PubChem CID55237371
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N1CCCC1C
InChIInChI=1S/C14H26N4/c1-5-12(15)9-13-11(3)16-17(4)14(13)18-8-6-7-10(18)2/h10,12H,5-9,15H2,1-4H3
InChIKeyKGSBZHRTMAPQBD-UHFFFAOYSA-N
XLogP2.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]ethanamine
CID 63782509
1-[1,3-dimethyl-5-(4-methylazepan-1-yl)pyrazol-4-yl]butan-2-amine
CID 63795740
1-[5-(2,5-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63786634
[1,3-dimethyl-5-(2-methylpiperidin-1-yl)pyrazol-4-yl]methanol
CID 43122104
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
CID 43122170
1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
CID 66371633
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
[5-(2-ethylpyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 60974475
1-[5-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63816431
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
CID 62730242
1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide
CID 63751697
1-[5-(4-tert-butylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63793784

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine (CID 55237371) is 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(C)c1N1CCCC1C.
What is the InChIKey of 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine?
The InChIKey is KGSBZHRTMAPQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-12(15)9-13-11(3)16-17(4)14(13)18-8-6-7-10(18)2/h10,12H,5-9,15H2,1-4H3.
What are the key properties of 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine?
1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 55237371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).