2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid

C11H13N5O3 — CID 19482723

IUPAC2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1cc(NC(=O)c2ccnn2CC(=O)O)n(C)n1
InChIInChI=1S/C11H13N5O3/c1-7-5-9(15(2)14-7)13-11(19)8-3-4-12-16(8)6-10(17)18/h3-5H,6H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyTXOBZTMDICODLZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.26
Rot. Bonds4

About 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid

2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19482723) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19482723
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1cc(NC(=O)c2ccnn2CC(=O)O)n(C)n1
InChIInChI=1S/C11H13N5O3/c1-7-5-9(15(2)14-7)13-11(19)8-3-4-12-16(8)6-10(17)18/h3-5H,6H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyTXOBZTMDICODLZ-UHFFFAOYSA-N
XLogP0.26
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
2-[5-(ethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482640
2-[5-[(2,4-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19470917
2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482663
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
2-[5-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482676
2-[5-[(4-methyl-2-nitrophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482380
2-[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482356
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[5-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482340
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097892

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19482723) is 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid is Cc1cc(NC(=O)c2ccnn2CC(=O)O)n(C)n1.
What is the InChIKey of 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is TXOBZTMDICODLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-5-9(15(2)14-7)13-11(19)8-3-4-12-16(8)6-10(17)18/h3-5H,6H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 263.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethylpyrazol-3-yl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).