3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid

C19H16N4O2 — CID 118959944

IUPAC3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)O)cc34)cc2)cn1
InChIInChI=1S/C19H16N4O2/c1-23-11-15(10-20-23)13-4-2-12(3-5-13)8-18-16-9-14(19(24)25)6-7-17(16)21-22-18/h2-7,9-11H,8H2,1H3,(H,21,22)(H,24,25)
InChIKeyUKXGIUMVFKJCKA-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.25
Rot. Bonds4

About 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid

3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid (PubChem CID 118959944) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid
PubChem CID118959944
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)O)cc34)cc2)cn1
InChIInChI=1S/C19H16N4O2/c1-23-11-15(10-20-23)13-4-2-12(3-5-13)8-18-16-9-14(19(24)25)6-7-17(16)21-22-18/h2-7,9-11H,8H2,1H3,(H,21,22)(H,24,25)
InChIKeyUKXGIUMVFKJCKA-UHFFFAOYSA-N
XLogP3.25
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid (CID 118959944) is 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)O)cc34)cc2)cn1.
What is the InChIKey of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid?
The InChIKey is UKXGIUMVFKJCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-11-15(10-20-23)13-4-2-12(3-5-13)8-18-16-9-14(19(24)25)6-7-17(16)21-22-18/h2-7,9-11H,8H2,1H3,(H,21,22)(H,24,25).
What are the key properties of 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid?
3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 118959944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).