2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide

C11H19N5O — CID 80548785

IUPAC2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1ccn[nH]1)N1CCNCC1
InChIInChI=1S/C11H19N5O/c1-11(2,16-7-5-12-6-8-16)10(17)14-9-3-4-13-15-9/h3-4,12H,5-8H2,1-2H3,(H2,13,14,15,17)
InChIKeyZIFORPUBLUDYOB-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.03
Rot. Bonds3

About 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide

2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 80548785) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
PubChem CID80548785
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(C)(C(=O)Nc1ccn[nH]1)N1CCNCC1
InChIInChI=1S/C11H19N5O/c1-11(2,16-7-5-12-6-8-16)10(17)14-9-3-4-13-15-9/h3-4,12H,5-8H2,1-2H3,(H2,13,14,15,17)
InChIKeyZIFORPUBLUDYOB-UHFFFAOYSA-N
XLogP0.03
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide (CID 80548785) is 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide is CC(C)(C(=O)Nc1ccn[nH]1)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is ZIFORPUBLUDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2,16-7-5-12-6-8-16)10(17)14-9-3-4-13-15-9/h3-4,12H,5-8H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide?
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 237.31 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 80548785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).