1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid

C15H13N5O2 — CID 150917890

IUPAC1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1NCc1cnccn1
InChIInChI=1S/C15H13N5O2/c21-15(22)13-10-20(12-4-2-1-3-5-12)19-14(13)18-9-11-8-16-6-7-17-11/h1-8,10H,9H2,(H,18,19)(H,21,22)
InChIKeyLDJZPDZCOREPAJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.97
Rot. Bonds5

About 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid

1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid (PubChem CID 150917890) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid
PubChem CID150917890
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1NCc1cnccn1
InChIInChI=1S/C15H13N5O2/c21-15(22)13-10-20(12-4-2-1-3-5-12)19-14(13)18-9-11-8-16-6-7-17-11/h1-8,10H,9H2,(H,18,19)(H,21,22)
InChIKeyLDJZPDZCOREPAJ-UHFFFAOYSA-N
XLogP1.97
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(3-methylanilino)-1-phenylpyrazole-4-carboxylic acid
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[2-(pyrazin-2-ylmethylamino)phenyl]methanol
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N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
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5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid?
The IUPAC name of 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid (CID 150917890) is 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccccc2)nc1NCc1cnccn1.
What is the InChIKey of 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid?
The InChIKey is LDJZPDZCOREPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-15(22)13-10-20(12-4-2-1-3-5-12)19-14(13)18-9-11-8-16-6-7-17-11/h1-8,10H,9H2,(H,18,19)(H,21,22).
What are the key properties of 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid?
1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(pyrazin-2-ylmethylamino)pyrazole-4-carboxylic acid is sourced from PubChem (CID 150917890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).