2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid

C14H16N4O3 — CID 62535953

IUPAC2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)NCCn1cccn1
InChIInChI=1S/C14H16N4O3/c19-13(20)10-11-4-1-2-5-12(11)17-14(21)15-7-9-18-8-3-6-16-18/h1-6,8H,7,9-10H2,(H,19,20)(H2,15,17,21)
InChIKeyZNVAVHSCTYVYQZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid

2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid (PubChem CID 62535953) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
PubChem CID62535953
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)NCCn1cccn1
InChIInChI=1S/C14H16N4O3/c19-13(20)10-11-4-1-2-5-12(11)17-14(21)15-7-9-18-8-3-6-16-18/h1-6,8H,7,9-10H2,(H,19,20)(H2,15,17,21)
InChIKeyZNVAVHSCTYVYQZ-UHFFFAOYSA-N
XLogP1.33
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 65345773
5-bromo-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 62073502
4-fluoro-3-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461761
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99599215
1-(3-pyrazol-1-ylpropyl)-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 87010339
3-methyl-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid (CID 62535953) is 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)NCCn1cccn1.
What is the InChIKey of 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is ZNVAVHSCTYVYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13(20)10-11-4-1-2-5-12(11)17-14(21)15-7-9-18-8-3-6-16-18/h1-6,8H,7,9-10H2,(H,19,20)(H2,15,17,21).
What are the key properties of 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid?
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 62535953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).