2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide

C11H19N5O — CID 54982747

IUPAC2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cn[nH]c1)N1CCNCC1
InChIInChI=1S/C11H19N5O/c1-9(16-4-2-12-3-5-16)11(17)13-6-10-7-14-15-8-10/h7-9,12H,2-6H2,1H3,(H,13,17)(H,14,15)
InChIKeyVUHOJDNKJRLDHV-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.68
Rot. Bonds4

About 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide

2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 54982747) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID54982747
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cn[nH]c1)N1CCNCC1
InChIInChI=1S/C11H19N5O/c1-9(16-4-2-12-3-5-16)11(17)13-6-10-7-14-15-8-10/h7-9,12H,2-6H2,1H3,(H,13,17)(H,14,15)
InChIKeyVUHOJDNKJRLDHV-UHFFFAOYSA-N
XLogP-0.68
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 125130448
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
CID 136586537
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
(4-cyclopropylpiperazin-1-yl)(1H-pyrazol-4-yl)methanone
CID 60959056
N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78960488
N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78963008
2-amino-3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 79805078

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 54982747) is 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide is CC(C(=O)NCc1cn[nH]c1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is VUHOJDNKJRLDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9(16-4-2-12-3-5-16)11(17)13-6-10-7-14-15-8-10/h7-9,12H,2-6H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide?
2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 237.31 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 54982747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).