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

C14H11N5O4 — CID 19500263

IUPAC2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)Nc2nccc(-c3ccco3)n2)n1
InChIInChI=1S/C14H11N5O4/c20-12(21)8-19-6-4-10(18-19)13(22)17-14-15-5-3-9(16-14)11-2-1-7-23-11/h1-7H,8H2,(H,20,21)(H,15,16,17,22)
InChIKeyRAQUOXVOQRNWOW-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.27
Rot. Bonds5

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

2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500263) has the molecular formula C14H11N5O4 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500263
Molecular FormulaC14H11N5O4
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC Name2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)Nc2nccc(-c3ccco3)n2)n1
InChIInChI=1S/C14H11N5O4/c20-12(21)8-19-6-4-10(18-19)13(22)17-14-15-5-3-9(16-14)11-2-1-7-23-11/h1-7H,8H2,(H,20,21)(H,15,16,17,22)
InChIKeyRAQUOXVOQRNWOW-UHFFFAOYSA-N
XLogP1.27
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.27
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-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075
2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504692
2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623378
4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500034
2-[2-[[(3R,3aR,6S,6aS)-3-[[4-(furan-2-yl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 162792234
2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19501958
2-[3-[(3,4-difluorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500090
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-[4-(furan-2-yl)pyrimidin-2-yl]acetamide
CID 19485101
N-[4-(furan-2-yl)pyrimidin-2-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19499067

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19500263) is 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(C(=O)Nc2nccc(-c3ccco3)n2)n1.
What is the InChIKey of 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is RAQUOXVOQRNWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4/c20-12(21)8-19-6-4-10(18-19)13(22)17-14-15-5-3-9(16-14)11-2-1-7-23-11/h1-7H,8H2,(H,20,21)(H,15,16,17,22).
What are the key properties of 2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 313.27 g/mol, XLogP of 1.27, 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]acetic acid is sourced from PubChem (CID 19500263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).