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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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).