1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid

C19H14N2O2 — CID 169188030

IUPAC1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(cnn2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H14N2O2/c22-19(23)16-7-8-18-17(10-16)11-20-21(18)12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2,(H,22,23)
InChIKeyYZHHPKHFBCJXPP-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.94
Rot. Bonds3

About 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid

1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid (PubChem CID 169188030) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
PubChem CID169188030
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(cnn2Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H14N2O2/c22-19(23)16-7-8-18-17(10-16)11-20-21(18)12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2,(H,22,23)
InChIKeyYZHHPKHFBCJXPP-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
3-chloro-4-(indazol-1-ylmethyl)benzoic acid
CID 102670055
naphthalene-2-carboxylic acid
CID 175967775
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 18681123
N-(2-aminophenyl)-1-benzylindazole-5-carboxamide
CID 78325027
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-5-carboxylic acid
CID 53206386
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid
CID 155191752
N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 168655042

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid?
The IUPAC name of 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid (CID 169188030) is 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid is O=C(O)c1ccc2c(cnn2Cc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid?
The InChIKey is YZHHPKHFBCJXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19(23)16-7-8-18-17(10-16)11-20-21(18)12-13-5-6-14-3-1-2-4-15(14)9-13/h1-11H,12H2,(H,22,23).
What are the key properties of 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid?
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid is sourced from PubChem (CID 169188030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).