3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid

C19H16N4O2 — CID 39220615

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1-c1n[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C19H16N4O2/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)18-15-9-8-13(19(24)25)10-16(15)20-21-18/h3-10H,1-2H3,(H,20,21)(H,24,25)
InChIKeyNDOGQMVAGDOYMV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.73
Rot. Bonds3

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid (PubChem CID 39220615) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid
PubChem CID39220615
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1-c1n[nH]c2cc(C(=O)O)ccc12
InChIInChI=1S/C19H16N4O2/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)18-15-9-8-13(19(24)25)10-16(15)20-21-18/h3-10H,1-2H3,(H,20,21)(H,24,25)
InChIKeyNDOGQMVAGDOYMV-UHFFFAOYSA-N
XLogP3.73
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid
CID 39220618
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
CID 39220149
3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
CID 39220248
3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218901
3-fluoro-4-(1H-indazol-3-yl)benzoic acid
CID 118285872
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-(2-ethylbutanoylamino)-1,2-oxazole-4-carboxylic acid
CID 142774020
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4037838
2-[5-[(3-bromobenzoyl)amino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-4-yl]benzoic acid
CID 175242383
3-(1,3,5-trimethylpyrazol-4-yl)-1H-indazole-4-carboxylic acid
CID 39220194
1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 13349347
4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid
CID 63263044
2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
CID 135445358

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid (CID 39220615) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid is Cc1nn(-c2ccccc2)c(C)c1-c1n[nH]c2cc(C(=O)O)ccc12.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid?
The InChIKey is NDOGQMVAGDOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)18-15-9-8-13(19(24)25)10-16(15)20-21-18/h3-10H,1-2H3,(H,20,21)(H,24,25).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 39220615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).