2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid

C14H16N4O3 — CID 65345773

IUPAC2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)NCCn2cccn2)c1
InChIInChI=1S/C14H16N4O3/c19-13(20)10-11-3-1-4-12(9-11)17-14(21)15-6-8-18-7-2-5-16-18/h1-5,7,9H,6,8,10H2,(H,19,20)(H2,15,17,21)
InChIKeyRSVIAZHSZLHWPO-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.33
Rot. Bonds6

About 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid

2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid (PubChem CID 65345773) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
PubChem CID65345773
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)NCCn2cccn2)c1
InChIInChI=1S/C14H16N4O3/c19-13(20)10-11-3-1-4-12(9-11)17-14(21)15-6-8-18-7-2-5-16-18/h1-5,7,9H,6,8,10H2,(H,19,20)(H2,15,17,21)
InChIKeyRSVIAZHSZLHWPO-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
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid
CID 106340736
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
3-methyl-2-(2-pyrazol-1-ylethylcarbamoylamino)benzoic acid
CID 61461235
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-pyrazol-1-ylethyl)urea
CID 61461497

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid (CID 65345773) is 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)NCCn2cccn2)c1.
What is the InChIKey of 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is RSVIAZHSZLHWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13(20)10-11-3-1-4-12(9-11)17-14(21)15-6-8-18-7-2-5-16-18/h1-5,7,9H,6,8,10H2,(H,19,20)(H2,15,17,21).
What are the key properties of 2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid?
2-[3-(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-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 65345773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).