4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid

C14H11N5O4 — CID 19498698

IUPAC4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1cc(C(=O)Nc2nccc(-c3ccco3)n2)c(C(=O)O)n1
InChIInChI=1S/C14H11N5O4/c1-19-7-8(11(18-19)13(21)22)12(20)17-14-15-5-4-9(16-14)10-3-2-6-23-10/h2-7H,1H3,(H,21,22)(H,15,16,17,20)
InChIKeyVFQMFXPOOVBOPM-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.42
Rot. Bonds4

About 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid

4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 19498698) has the molecular formula C14H11N5O4 and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID19498698
Molecular FormulaC14H11N5O4
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC Name4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1cc(C(=O)Nc2nccc(-c3ccco3)n2)c(C(=O)O)n1
InChIInChI=1S/C14H11N5O4/c1-19-7-8(11(18-19)13(21)22)12(20)17-14-15-5-4-9(16-14)10-3-2-6-23-10/h2-7H,1H3,(H,21,22)(H,15,16,17,20)
InChIKeyVFQMFXPOOVBOPM-UHFFFAOYSA-N
XLogP1.42
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500263
2-[3-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504259
2-[4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504692
3-(furan-2-yl)-1-methyl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 167936800
4-(furan-2-yl)pyrimidine-2-carboxylic acid
CID 82404248
4-[(2,6-dichlorophenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498506
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
4-[[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498685
4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498518
1-methyl-4-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-3-carboxylic acid
CID 67391783
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 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid (CID 19498698) is 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid is Cn1cc(C(=O)Nc2nccc(-c3ccco3)n2)c(C(=O)O)n1.
What is the InChIKey of 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is VFQMFXPOOVBOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4/c1-19-7-8(11(18-19)13(21)22)12(20)17-14-15-5-4-9(16-14)10-3-2-6-23-10/h2-7H,1H3,(H,21,22)(H,15,16,17,20).
What are the key properties of 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid?
4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 313.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(furan-2-yl)pyrimidin-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 19498698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).