2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid

C13H14N4O3 — CID 62877454

IUPAC2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)Nc1cn[nH]c1
InChIInChI=1S/C13H14N4O3/c18-12(19)11(9-4-2-1-3-5-9)8-14-13(20)17-10-6-15-16-7-10/h1-7,11H,8H2,(H,15,16)(H,18,19)(H2,14,17,20)
InChIKeyGXJWLQMXECIQCT-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.40
Rot. Bonds5

About 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid

2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid (PubChem CID 62877454) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
PubChem CID62877454
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)Nc1cn[nH]c1
InChIInChI=1S/C13H14N4O3/c18-12(19)11(9-4-2-1-3-5-9)8-14-13(20)17-10-6-15-16-7-10/h1-7,11H,8H2,(H,15,16)(H,18,19)(H2,14,17,20)
InChIKeyGXJWLQMXECIQCT-UHFFFAOYSA-N
XLogP1.40
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
1-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)urea
CID 130991878
2-phenyl-3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 62878500
2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
CID 130682682
1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94174229
1-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(1H-pyrazol-4-yl)urea
CID 95130185
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
CID 60968186
1-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-pyrazol-4-yl)urea
CID 51959661
1-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94773819
4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
CID 61209823
3-(2,2-dimethylpropylcarbamoylamino)-2-phenylpropanoic acid
CID 62878856
1H-pyrazol-4-ylcarbamic acid
CID 66846919

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid (CID 62877454) is 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid is O=C(NCC(C(=O)O)c1ccccc1)Nc1cn[nH]c1.
What is the InChIKey of 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid?
The InChIKey is GXJWLQMXECIQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-12(19)11(9-4-2-1-3-5-9)8-14-13(20)17-10-6-15-16-7-10/h1-7,11H,8H2,(H,15,16)(H,18,19)(H2,14,17,20).
What are the key properties of 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid?
2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 62877454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).