3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid

C12H10N4O2 — CID 39220103

IUPAC3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
SMILESCn1cc(-c2n[nH]c3cccc(C(=O)O)c23)cn1
InChIInChI=1S/C12H10N4O2/c1-16-6-7(5-13-16)11-10-8(12(17)18)3-2-4-9(10)14-15-11/h2-6H,1H3,(H,14,15)(H,17,18)
InChIKeyVLJIYPNLWPOGGQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.66
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid

3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid (PubChem CID 39220103) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
PubChem CID39220103
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
SMILESCn1cc(-c2n[nH]c3cccc(C(=O)O)c23)cn1
InChIInChI=1S/C12H10N4O2/c1-16-6-7(5-13-16)11-10-8(12(17)18)3-2-4-9(10)14-15-11/h2-6H,1H3,(H,14,15)(H,17,18)
InChIKeyVLJIYPNLWPOGGQ-UHFFFAOYSA-N
XLogP1.66
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-4-carboxylic acid
CID 39219895
3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
CID 39218620
3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220194
3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219293
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
3-thiophen-2-yl-1H-indazole-4-carboxylic acid
CID 39218203
methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 141345472
4-methoxy-3-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1H-pyrazolo[4,3-c]pyridine
CID 56942986
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
1-(1-methylpyrazol-4-yl)naphthalene-2-carboxylic acid
CID 68748254
2-fluoro-5-(1-methylpyrazol-4-yl)benzoic acid
CID 39826399
2-fluoro-6-(1-methylpyrazol-4-yl)benzoic acid
CID 114560297

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid (CID 39220103) is 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid is Cn1cc(-c2n[nH]c3cccc(C(=O)O)c23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid?
The InChIKey is VLJIYPNLWPOGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-16-6-7(5-13-16)11-10-8(12(17)18)3-2-4-9(10)14-15-11/h2-6H,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid?
3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid has a molecular weight of 242.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 39220103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).