3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide

C12H21N5O2 — CID 112536415

IUPAC3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
SMILESCN1CCN(CCC(=O)NCc2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C12H21N5O2/c1-16-4-6-17(7-5-16)3-2-11(18)13-9-10-8-12(19)15-14-10/h8H,2-7,9H2,1H3,(H,13,18)(H2,14,15,19)
InChIKeyOCPTXJXACKCOQP-UHFFFAOYSA-N
MW267.33 g/mol
LogP-1.04
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide

3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide (PubChem CID 112536415) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
PubChem CID112536415
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
SMILESCN1CCN(CCC(=O)NCc2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C12H21N5O2/c1-16-4-6-17(7-5-16)3-2-11(18)13-9-10-8-12(19)15-14-10/h8H,2-7,9H2,1H3,(H,13,18)(H2,14,15,19)
InChIKeyOCPTXJXACKCOQP-UHFFFAOYSA-N
XLogP-1.04
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-yl-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
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N-butyl-3-(4-methylpiperazin-1-yl)propanamide
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3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
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3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
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N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
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2-(3-methoxyphenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]acetamide
CID 112536479
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide (CID 112536415) is 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide is CN1CCN(CCC(=O)NCc2cc(=O)[nH][nH]2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide?
The InChIKey is OCPTXJXACKCOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-16-4-6-17(7-5-16)3-2-11(18)13-9-10-8-12(19)15-14-10/h8H,2-7,9H2,1H3,(H,13,18)(H2,14,15,19).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide?
3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide has a molecular weight of 267.33 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 112536415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).