1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one

C14H24N4O — CID 153499367

IUPAC1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one
SMILESCC(C)c1cn(C(C)C)nc1CN1CCNCC1=O
InChIInChI=1S/C14H24N4O/c1-10(2)12-8-18(11(3)4)16-13(12)9-17-6-5-15-7-14(17)19/h8,10-11,15H,5-7,9H2,1-4H3
InChIKeyIWUKMTIDXZWLAX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.52
Rot. Bonds4

About 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one

1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one (PubChem CID 153499367) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one
PubChem CID153499367
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one
SMILESCC(C)c1cn(C(C)C)nc1CN1CCNCC1=O
InChIInChI=1S/C14H24N4O/c1-10(2)12-8-18(11(3)4)16-13(12)9-17-6-5-15-7-14(17)19/h8,10-11,15H,5-7,9H2,1-4H3
InChIKeyIWUKMTIDXZWLAX-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one?
The IUPAC name of 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one (CID 153499367) is 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one is CC(C)c1cn(C(C)C)nc1CN1CCNCC1=O.
What is the InChIKey of 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one?
The InChIKey is IWUKMTIDXZWLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)12-8-18(11(3)4)16-13(12)9-17-6-5-15-7-14(17)19/h8,10-11,15H,5-7,9H2,1-4H3.
What are the key properties of 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one?
1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,4-di(propan-2-yl)pyrazol-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 153499367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).