4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one

C13H23N5O — CID 43281142

IUPAC4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one
SMILESCc1nn(C)c(N2CCNC(=O)C2)c1CNC(C)C
InChIInChI=1S/C13H23N5O/c1-9(2)15-7-11-10(3)16-17(4)13(11)18-6-5-14-12(19)8-18/h9,15H,5-8H2,1-4H3,(H,14,19)
InChIKeyAUOSHVNQYCZYBK-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.16
Rot. Bonds4

About 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one

4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one (PubChem CID 43281142) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one
PubChem CID43281142
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one
SMILESCc1nn(C)c(N2CCNC(=O)C2)c1CNC(C)C
InChIInChI=1S/C13H23N5O/c1-9(2)15-7-11-10(3)16-17(4)13(11)18-6-5-14-12(19)8-18/h9,15H,5-8H2,1-4H3,(H,14,19)
InChIKeyAUOSHVNQYCZYBK-UHFFFAOYSA-N
XLogP0.16
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one?
The IUPAC name of 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one (CID 43281142) is 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one.
What is the SMILES notation for 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one?
The canonical SMILES for 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one is Cc1nn(C)c(N2CCNC(=O)C2)c1CNC(C)C.
What is the InChIKey of 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one?
The InChIKey is AUOSHVNQYCZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)15-7-11-10(3)16-17(4)13(11)18-6-5-14-12(19)8-18/h9,15H,5-8H2,1-4H3,(H,14,19).
What are the key properties of 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one?
4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]piperazin-2-one is sourced from PubChem (CID 43281142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).