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

C15H13N5O4 — CID 19504692

IUPAC2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)Nc2nccc(-c3ccco3)n2)cn1
InChIInChI=1S/C15H13N5O4/c1-9(14(22)23)20-8-10(7-17-20)13(21)19-15-16-5-4-11(18-15)12-3-2-6-24-12/h2-9H,1H3,(H,22,23)(H,16,18,19,21)
InChIKeyKZHQOXVEJLEUOZ-UHFFFAOYSA-N
MW327.30 g/mol
LogP1.83
Rot. Bonds5

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

2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504692) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504692
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Name2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)Nc2nccc(-c3ccco3)n2)cn1
InChIInChI=1S/C15H13N5O4/c1-9(14(22)23)20-8-10(7-17-20)13(21)19-15-16-5-4-11(18-15)12-3-2-6-24-12/h2-9H,1H3,(H,22,23)(H,16,18,19,21)
InChIKeyKZHQOXVEJLEUOZ-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-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504259
4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498698
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
2-[4-[(2,6-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502901
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500263
2-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502903
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105
2-[4-[(2,6-dibromo-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502914
4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19502955
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504692) is 2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)Nc2nccc(-c3ccco3)n2)cn1.
What is the InChIKey of 2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is KZHQOXVEJLEUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c1-9(14(22)23)20-8-10(7-17-20)13(21)19-15-16-5-4-11(18-15)12-3-2-6-24-12/h2-9H,1H3,(H,22,23)(H,16,18,19,21).
What are the key properties of 2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[[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-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).