3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid

C12H13N3O4 — CID 19490099

IUPAC3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nccc1C(=O)NCc1ccco1
InChIInChI=1S/C12H13N3O4/c16-11(17)4-6-15-10(3-5-14-15)12(18)13-8-9-2-1-7-19-9/h1-3,5,7H,4,6,8H2,(H,13,18)(H,16,17)
InChIKeyQPHKBWZAMQKWOY-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.88
Rot. Bonds6

About 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid

3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19490099) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19490099
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nccc1C(=O)NCc1ccco1
InChIInChI=1S/C12H13N3O4/c16-11(17)4-6-15-10(3-5-14-15)12(18)13-8-9-2-1-7-19-9/h1-3,5,7H,4,6,8H2,(H,13,18)(H,16,17)
InChIKeyQPHKBWZAMQKWOY-UHFFFAOYSA-N
XLogP0.88
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482452
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
2-[4-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621941
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
N-(furan-2-ylmethyl)-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570005
3-[5-[(4-methyl-2-pyridinyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19489957
3-(5-carbamoylpyrazol-1-yl)propanoic acid
CID 50896470
1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19569994
N-(furan-2-ylmethyl)-2-indolizin-3-ylpyrazole-3-carboxamide
CID 97447225
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617

Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19490099) is 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1nccc1C(=O)NCc1ccco1.
What is the InChIKey of 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is QPHKBWZAMQKWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-11(17)4-6-15-10(3-5-14-15)12(18)13-8-9-2-1-7-19-9/h1-3,5,7H,4,6,8H2,(H,13,18)(H,16,17).
What are the key properties of 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 263.25 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19490099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).