2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid

C14H15N3O4 — CID 61017720

IUPAC2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)CCc2ccccc2O)cn1
InChIInChI=1S/C14H15N3O4/c18-12-4-2-1-3-10(12)5-6-13(19)16-11-7-15-17(8-11)9-14(20)21/h1-4,7-8,18H,5-6,9H2,(H,16,19)(H,20,21)
InChIKeyPEYVSXCOMZGCLL-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.24
Rot. Bonds6

About 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid

2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 61017720) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
PubChem CID61017720
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)CCc2ccccc2O)cn1
InChIInChI=1S/C14H15N3O4/c18-12-4-2-1-3-10(12)5-6-13(19)16-11-7-15-17(8-11)9-14(20)21/h1-4,7-8,18H,5-6,9H2,(H,16,19)(H,20,21)
InChIKeyPEYVSXCOMZGCLL-UHFFFAOYSA-N
XLogP1.24
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 107273013
2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 61018494
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 120611080
2-[4-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pyrazol-1-yl]acetic acid
CID 167748434
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
3-(2-aminophenyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120611234
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid (CID 61017720) is 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)CCc2ccccc2O)cn1.
What is the InChIKey of 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is PEYVSXCOMZGCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-12-4-2-1-3-10(12)5-6-13(19)16-11-7-15-17(8-11)9-14(20)21/h1-4,7-8,18H,5-6,9H2,(H,16,19)(H,20,21).
What are the key properties of 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61017720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).