2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C15H13N5O4 — CID 19504259

IUPAC2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)Nc2nccc(-c3ccco3)n2)n1
InChIInChI=1S/C15H13N5O4/c1-9(14(22)23)20-7-5-11(19-20)13(21)18-15-16-6-4-10(17-15)12-3-2-8-24-12/h2-9H,1H3,(H,22,23)(H,16,17,18,21)
InChIKeyNEIQUYRUWWHQES-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.83
Rot. Bonds5

About 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504259) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504259
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Name2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)Nc2nccc(-c3ccco3)n2)n1
InChIInChI=1S/C15H13N5O4/c1-9(14(22)23)20-7-5-11(19-20)13(21)18-15-16-6-4-10(17-15)12-3-2-8-24-12/h2-9H,1H3,(H,22,23)(H,16,17,18,21)
InChIKeyNEIQUYRUWWHQES-UHFFFAOYSA-N
XLogP1.83
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504692
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500263
4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498698
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504136
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448
4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
2-[3-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504152
2-[3-[(5-ethoxycarbonyl-4-methyl-3-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504103
2-amino-6-(furan-2-yl)-N-(3-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 11197188
(2R)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 100713215
2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623498

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504259) is 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1ccc(C(=O)Nc2nccc(-c3ccco3)n2)n1.
What is the InChIKey of 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is NEIQUYRUWWHQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c1-9(14(22)23)20-7-5-11(19-20)13(21)18-15-16-6-4-10(17-15)12-3-2-8-24-12/h2-9H,1H3,(H,22,23)(H,16,17,18,21).
What are the key properties of 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 327.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).