2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid

C10H11N5O3 — CID 19621973

IUPAC2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCc2ccn[nH]2)cn1
InChIInChI=1S/C10H11N5O3/c16-9(17)6-15-5-7(3-13-15)10(18)11-4-8-1-2-12-14-8/h1-3,5H,4,6H2,(H,11,18)(H,12,14)(H,16,17)
InChIKeyQGXFPSNXAMFAOM-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.38
Rot. Bonds5

About 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid

2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19621973) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19621973
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)NCc2ccn[nH]2)cn1
InChIInChI=1S/C10H11N5O3/c16-9(17)6-15-5-7(3-13-15)10(18)11-4-8-1-2-12-14-8/h1-3,5H,4,6H2,(H,11,18)(H,12,14)(H,16,17)
InChIKeyQGXFPSNXAMFAOM-UHFFFAOYSA-N
XLogP-0.38
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19621973) is 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)NCc2ccn[nH]2)cn1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is QGXFPSNXAMFAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c16-9(17)6-15-5-7(3-13-15)10(18)11-4-8-1-2-12-14-8/h1-3,5H,4,6H2,(H,11,18)(H,12,14)(H,16,17).
What are the key properties of 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 249.23 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19621973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).