1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid

C19H16N6O3 — CID 67063184

IUPAC1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCCn1ncc(C(=O)O)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1
InChIInChI=1S/C19H16N6O3/c1-2-25-17(13(9-21-25)19(27)28)18(26)23-15-8-16-22-14(10-24(16)11-20-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,26)(H,27,28)
InChIKeyJIIZIODYSOJLBQ-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.56
Rot. Bonds5

About 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid

1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid (PubChem CID 67063184) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
PubChem CID67063184
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
SMILESCCn1ncc(C(=O)O)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1
InChIInChI=1S/C19H16N6O3/c1-2-25-17(13(9-21-25)19(27)28)18(26)23-15-8-16-22-14(10-24(16)11-20-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,26)(H,27,28)
InChIKeyJIIZIODYSOJLBQ-UHFFFAOYSA-N
XLogP2.56
TPSA114.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-5-[(2-phenylimidazo[1,2-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67041914
ethyl 1-ethyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 53467806
N,1-diethyl-N-methyl-5-[2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)acetyl]pyrazole-4-carboxamide
CID 58446953
2-methanimidoyl-N-methyl-3-methylimino-N'-(2-phenylimidazo[1,2-c]pyrimidin-7-yl)butanediamide
CID 123144940
5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 71245150
4-N,1-diethyl-4-N-methyl-5-N-(10-methyl-2-phenyl-9,10-dihydroimidazo[1,2-a]azocin-7-yl)pyrazole-4,5-dicarboxamide
CID 123420989
N-(2-acetamidoethyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108801482
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4,5-dicarboxamide
CID 51033928
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242
N-butan-2-yl-7-ethyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42752722
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid (CID 67063184) is 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid is CCn1ncc(C(=O)O)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1.
What is the InChIKey of 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid?
The InChIKey is JIIZIODYSOJLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-2-25-17(13(9-21-25)19(27)28)18(26)23-15-8-16-22-14(10-24(16)11-20-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid?
1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid has a molecular weight of 376.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(2-phenylimidazo[1,2-c]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 67063184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).