4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one

C13H21N5O2 — CID 63596109

IUPAC4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one
SMILESCc1c(C(=O)N2CCNC(=O)C2C)cnn1CCCN
InChIInChI=1S/C13H21N5O2/c1-9-11(8-16-18(9)6-3-4-14)13(20)17-7-5-15-12(19)10(17)2/h8,10H,3-7,14H2,1-2H3,(H,15,19)
InChIKeyWWIZOJVQTBJMCJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.50
Rot. Bonds4

About 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one

4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one (PubChem CID 63596109) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one
PubChem CID63596109
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one
SMILESCc1c(C(=O)N2CCNC(=O)C2C)cnn1CCCN
InChIInChI=1S/C13H21N5O2/c1-9-11(8-16-18(9)6-3-4-14)13(20)17-7-5-15-12(19)10(17)2/h8,10H,3-7,14H2,1-2H3,(H,15,19)
InChIKeyWWIZOJVQTBJMCJ-UHFFFAOYSA-N
XLogP-0.50
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one (CID 63596109) is 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one is Cc1c(C(=O)N2CCNC(=O)C2C)cnn1CCCN.
What is the InChIKey of 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one?
The InChIKey is WWIZOJVQTBJMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9-11(8-16-18(9)6-3-4-14)13(20)17-7-5-15-12(19)10(17)2/h8,10H,3-7,14H2,1-2H3,(H,15,19).
What are the key properties of 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one?
4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one has a molecular weight of 279.34 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminopropyl)-5-methylpyrazole-4-carbonyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63596109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).