1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

C15H25N3O — CID 146202183

IUPAC1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(n2cc(CC(C)C)cn2)CC1
InChIInChI=1S/C15H25N3O/c1-4-15(19)17-7-5-14(6-8-17)18-11-13(10-16-18)9-12(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyUYCFWZDZWJAAAE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds4

About 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 146202183) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID146202183
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(n2cc(CC(C)C)cn2)CC1
InChIInChI=1S/C15H25N3O/c1-4-15(19)17-7-5-14(6-8-17)18-11-13(10-16-18)9-12(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyUYCFWZDZWJAAAE-UHFFFAOYSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (CID 146202183) is 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(n2cc(CC(C)C)cn2)CC1.
What is the InChIKey of 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is UYCFWZDZWJAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-15(19)17-7-5-14(6-8-17)18-11-13(10-16-18)9-12(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 146202183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).