2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid

C11H13N5O3 — CID 19623378

IUPAC2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)NCCn2cccn2)n1
InChIInChI=1S/C11H13N5O3/c17-10(18)8-16-6-2-9(14-16)11(19)12-4-7-15-5-1-3-13-15/h1-3,5-6H,4,7-8H2,(H,12,19)(H,17,18)
InChIKeyTWRUJMQJDMJLPV-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.41
Rot. Bonds6

About 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid

2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19623378) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19623378
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)NCCn2cccn2)n1
InChIInChI=1S/C11H13N5O3/c17-10(18)8-16-6-2-9(14-16)11(19)12-4-7-15-5-1-3-13-15/h1-3,5-6H,4,7-8H2,(H,12,19)(H,17,18)
InChIKeyTWRUJMQJDMJLPV-UHFFFAOYSA-N
XLogP-0.41
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19623408
2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623363
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
N-(2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135903
6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62239354
6-amino-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62186175
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62243688
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62243686
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19623378) is 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(C(=O)NCCn2cccn2)n1.
What is the InChIKey of 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is TWRUJMQJDMJLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c17-10(18)8-16-6-2-9(14-16)11(19)12-4-7-15-5-1-3-13-15/h1-3,5-6H,4,7-8H2,(H,12,19)(H,17,18).
What are the key properties of 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 263.26 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19623378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).