2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid

C12H18N4O3 — CID 19623468

IUPAC2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C12H18N4O3/c1-9(12(18)19)16-4-3-10(13-16)11(17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3,(H,18,19)
InChIKeyVLBSKCNBZHOPBJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.08
Rot. Bonds3

About 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid

2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid (PubChem CID 19623468) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid
PubChem CID19623468
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C12H18N4O3/c1-9(12(18)19)16-4-3-10(13-16)11(17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3,(H,18,19)
InChIKeyVLBSKCNBZHOPBJ-UHFFFAOYSA-N
XLogP-0.08
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
2-[3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623496
2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623477
2-[3-[4-(benzenesulfonyl)piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19504338
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200335
ethyl 4-[1-(difluoromethyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 4866590
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448
2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623498
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid (CID 19623468) is 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1ccc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid?
The InChIKey is VLBSKCNBZHOPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9(12(18)19)16-4-3-10(13-16)11(17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid?
2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).