1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine

C17H32N4 — CID 79059051

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(C)n1ccc(CC(N)C(C)(CC)N2CCCC2)n1
InChIInChI=1S/C17H32N4/c1-5-14(3)21-12-9-15(19-21)13-16(18)17(4,6-2)20-10-7-8-11-20/h9,12,14,16H,5-8,10-11,13,18H2,1-4H3
InChIKeyMNZGABKGKXBLDN-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.99
Rot. Bonds7

About 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 79059051) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID79059051
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(C)n1ccc(CC(N)C(C)(CC)N2CCCC2)n1
InChIInChI=1S/C17H32N4/c1-5-14(3)21-12-9-15(19-21)13-16(18)17(4,6-2)20-10-7-8-11-20/h9,12,14,16H,5-8,10-11,13,18H2,1-4H3
InChIKeyMNZGABKGKXBLDN-UHFFFAOYSA-N
XLogP2.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine (CID 79059051) is 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine is CCC(C)n1ccc(CC(N)C(C)(CC)N2CCCC2)n1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is MNZGABKGKXBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-14(3)21-12-9-15(19-21)13-16(18)17(4,6-2)20-10-7-8-11-20/h9,12,14,16H,5-8,10-11,13,18H2,1-4H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 79059051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).