3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid

C16H12FN5O3 — CID 53371223

IUPAC3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H12FN5O3/c17-11-3-1-10(2-4-11)9-22-8-5-12(21-22)20-15(23)13-14(16(24)25)19-7-6-18-13/h1-8H,9H2,(H,24,25)(H,20,21,23)
InChIKeyCZYXPJSBOSVVJH-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.81
Rot. Bonds5

About 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid

3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 53371223) has the molecular formula C16H12FN5O3 and a molecular weight of 341.30 g/mol. Its IUPAC name is 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID53371223
Molecular FormulaC16H12FN5O3
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC Name3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H12FN5O3/c17-11-3-1-10(2-4-11)9-22-8-5-12(21-22)20-15(23)13-14(16(24)25)19-7-6-18-13/h1-8H,9H2,(H,24,25)(H,20,21,23)
InChIKeyCZYXPJSBOSVVJH-UHFFFAOYSA-N
XLogP1.81
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid (CID 53371223) is 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is CZYXPJSBOSVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O3/c17-11-3-1-10(2-4-11)9-22-8-5-12(21-22)20-15(23)13-14(16(24)25)19-7-6-18-13/h1-8H,9H2,(H,24,25)(H,20,21,23).
What are the key properties of 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 341.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 53371223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).