5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one

C14H24N4O — CID 176978583

IUPAC5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCC(n2cc(CN)cn2)CC1
InChIInChI=1S/C14H24N4O/c1-12(19)3-2-6-17-7-4-14(5-8-17)18-11-13(9-15)10-16-18/h10-11,14H,2-9,15H2,1H3
InChIKeyIYHCLDYYOFEJDA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.35
Rot. Bonds6

About 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one

5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one (PubChem CID 176978583) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one.

Molecular Properties

Compound Name5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one
PubChem CID176978583
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCC(n2cc(CN)cn2)CC1
InChIInChI=1S/C14H24N4O/c1-12(19)3-2-6-17-7-4-14(5-8-17)18-11-13(9-15)10-16-18/h10-11,14H,2-9,15H2,1H3
InChIKeyIYHCLDYYOFEJDA-UHFFFAOYSA-N
XLogP1.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one?
The IUPAC name of 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one (CID 176978583) is 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one.
What is the SMILES notation for 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one?
The canonical SMILES for 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one is CC(=O)CCCN1CCC(n2cc(CN)cn2)CC1.
What is the InChIKey of 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one?
The InChIKey is IYHCLDYYOFEJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(19)3-2-6-17-7-4-14(5-8-17)18-11-13(9-15)10-16-18/h10-11,14H,2-9,15H2,1H3.
What are the key properties of 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one?
5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one is sourced from PubChem (CID 176978583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).