4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid

C15H20ClN5O3 — CID 56702392

IUPAC4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid
SMILESCc1cc(-c2nn(C)c(Cl)c2CN2CCN(C)C(C(=O)O)C2)no1
InChIInChI=1S/C15H20ClN5O3/c1-9-6-11(18-24-9)13-10(14(16)20(3)17-13)7-21-5-4-19(2)12(8-21)15(22)23/h6,12H,4-5,7-8H2,1-3H3,(H,22,23)
InChIKeyICSSWXPPRHZPDD-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.24
Rot. Bonds4

About 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid

4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid (PubChem CID 56702392) has the molecular formula C15H20ClN5O3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid
PubChem CID56702392
Molecular FormulaC15H20ClN5O3
Molecular Weight353.81 g/mol
Exact Mass353.13
IUPAC Name4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid
SMILESCc1cc(-c2nn(C)c(Cl)c2CN2CCN(C)C(C(=O)O)C2)no1
InChIInChI=1S/C15H20ClN5O3/c1-9-6-11(18-24-9)13-10(14(16)20(3)17-13)7-21-5-4-19(2)12(8-21)15(22)23/h6,12H,4-5,7-8H2,1-3H3,(H,22,23)
InChIKeyICSSWXPPRHZPDD-UHFFFAOYSA-N
XLogP1.24
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid (CID 56702392) is 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid is Cc1cc(-c2nn(C)c(Cl)c2CN2CCN(C)C(C(=O)O)C2)no1.
What is the InChIKey of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid?
The InChIKey is ICSSWXPPRHZPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O3/c1-9-6-11(18-24-9)13-10(14(16)20(3)17-13)7-21-5-4-19(2)12(8-21)15(22)23/h6,12H,4-5,7-8H2,1-3H3,(H,22,23).
What are the key properties of 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid?
4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid has a molecular weight of 353.81 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 56702392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).