3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid

C14H14N4O2 — CID 39220194

IUPAC3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1n[nH]c2cccc(C(=O)O)c12
InChIInChI=1S/C14H14N4O2/c1-7-11(8(2)18(3)17-7)13-12-9(14(19)20)5-4-6-10(12)15-16-13/h4-6H,1-3H3,(H,15,16)(H,19,20)
InChIKeySYGIIINPESTNLH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.28
Rot. Bonds2

About 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid

3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid (PubChem CID 39220194) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
PubChem CID39220194
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1n[nH]c2cccc(C(=O)O)c12
InChIInChI=1S/C14H14N4O2/c1-7-11(8(2)18(3)17-7)13-12-9(14(19)20)5-4-6-10(12)15-16-13/h4-6H,1-3H3,(H,15,16)(H,19,20)
InChIKeySYGIIINPESTNLH-UHFFFAOYSA-N
XLogP2.28
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride
CID 82038384
3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220103
2-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 107957677
3-thiophen-2-yl-1H-indazole-4-carboxylic acid
CID 39218203
1H-indazole-3,4-dicarboxylic acid
CID 24728738
3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
CID 39218620
3-(2-methyl-5-nitrophenyl)-1H-indazole-4-carboxylic acid
CID 39219096
5-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 81111614
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)benzoic acid
CID 65307163
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
3-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole-4-carboxylic acid
CID 115933573
4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
CID 67853661

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid?
The IUPAC name of 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid (CID 39220194) is 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid?
The canonical SMILES for 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid is Cc1nn(C)c(C)c1-c1n[nH]c2cccc(C(=O)O)c12.
What is the InChIKey of 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid?
The InChIKey is SYGIIINPESTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-7-11(8(2)18(3)17-7)13-12-9(14(19)20)5-4-6-10(12)15-16-13/h4-6H,1-3H3,(H,15,16)(H,19,20).
What are the key properties of 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid?
3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 39220194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).