1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine

C17H32N4 — CID 79051878

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
SMILESCCc1cc(CC(NC)C(C)(C)N2CCCCC2)n(C)n1
InChIInChI=1S/C17H32N4/c1-6-14-12-15(20(5)19-14)13-16(18-4)17(2,3)21-10-8-7-9-11-21/h12,16,18H,6-11,13H2,1-5H3
InChIKeyKMWDUGYFJUMHSA-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.38
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine (PubChem CID 79051878) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
PubChem CID79051878
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
SMILESCCc1cc(CC(NC)C(C)(C)N2CCCCC2)n(C)n1
InChIInChI=1S/C17H32N4/c1-6-14-12-15(20(5)19-14)13-16(18-4)17(2,3)21-10-8-7-9-11-21/h12,16,18H,6-11,13H2,1-5H3
InChIKeyKMWDUGYFJUMHSA-UHFFFAOYSA-N
XLogP2.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine (CID 79051878) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine is CCc1cc(CC(NC)C(C)(C)N2CCCCC2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine?
The InChIKey is KMWDUGYFJUMHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-14-12-15(20(5)19-14)13-16(18-4)17(2,3)21-10-8-7-9-11-21/h12,16,18H,6-11,13H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 79051878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).