3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride

C14H16Cl2N4O2 — CID 82038384

IUPAC3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride
SMILESCc1nn(C)c(C)c1-c1[nH]nc2c(C(=O)O)cccc12.Cl.Cl
InChIInChI=1S/C14H14N4O2.2ClH/c1-7-11(8(2)18(3)17-7)13-9-5-4-6-10(14(19)20)12(9)15-16-13;;/h4-6H,1-3H3,(H,15,16)(H,19,20);2*1H
InChIKeyNKIKMZRTWLMHJP-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.12
Rot. Bonds2

About 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride

3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride (PubChem CID 82038384) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride
PubChem CID82038384
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC Name3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride
SMILESCc1nn(C)c(C)c1-c1[nH]nc2c(C(=O)O)cccc12.Cl.Cl
InChIInChI=1S/C14H14N4O2.2ClH/c1-7-11(8(2)18(3)17-7)13-9-5-4-6-10(14(19)20)12(9)15-16-13;;/h4-6H,1-3H3,(H,15,16)(H,19,20);2*1H
InChIKeyNKIKMZRTWLMHJP-UHFFFAOYSA-N
XLogP3.12
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-Benzylindazol-3-yl)benzoic acid
CID 11034818
1-Methylindazole-7-carboxylic acid
CID 56973013
2-Methyl-2H-indazole-7-carboxylic acid
CID 56973014
3-methyl-1H-indazole-7-carboxylic acid
CID 67463657
1,3-dimethyl-1H-indazole-5-carboxylic acid
CID 82603234
1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxylic acid
CID 367593
3-(3-fluorophenyl)-1H-indazole-7-carboxylic acid
CID 22260856
3-Ethenyl-7-fluoro-1-methylindazole-5-carboxylic acid
CID 60035170
1-[3-methyl-1-[5-(trifluoromethyl)-1H-indazol-7-yl]butyl]indazole-5-carboxylic acid
CID 118251576
1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid
CID 118251618
3-(2-Fluorophenyl)-1-methylindazole-7-carboxylic acid
CID 176399942
3-(3-Fluorophenyl)-1-methylindazole-7-carboxylic acid
CID 176400009

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride?
The IUPAC name of 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride (CID 82038384) is 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride.
What is the SMILES notation for 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride?
The canonical SMILES for 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride is Cc1nn(C)c(C)c1-c1[nH]nc2c(C(=O)O)cccc12.Cl.Cl.
What is the InChIKey of 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride?
The InChIKey is NKIKMZRTWLMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2.2ClH/c1-7-11(8(2)18(3)17-7)13-9-5-4-6-10(14(19)20)12(9)15-16-13;;/h4-6H,1-3H3,(H,15,16)(H,19,20);2*1H.
What are the key properties of 3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride?
3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride has a molecular weight of 343.21 g/mol, XLogP of 3.12, 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)-2H-indazole-7-carboxylic acid;dihydrochloride is sourced from PubChem (CID 82038384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).