3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid

C19H16N4O2 — CID 39220618

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1-c1[nH]nc2c(C(=O)O)cccc12
InChIInChI=1S/C19H16N4O2/c1-11-16(12(2)23(22-11)13-7-4-3-5-8-13)18-14-9-6-10-15(19(24)25)17(14)20-21-18/h3-10H,1-2H3,(H,20,21)(H,24,25)
InChIKeyWMCAEAPNIXKTSV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.73
Rot. Bonds3

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid (PubChem CID 39220618) 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)-2H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid
PubChem CID39220618
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1-c1[nH]nc2c(C(=O)O)cccc12
InChIInChI=1S/C19H16N4O2/c1-11-16(12(2)23(22-11)13-7-4-3-5-8-13)18-14-9-6-10-15(19(24)25)17(14)20-21-18/h3-10H,1-2H3,(H,20,21)(H,24,25)
InChIKeyWMCAEAPNIXKTSV-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

Analyze 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3,5-trimethylpyrazol-4-yl)-2H-indazole-7-carboxylic acid;dihydrochloride
CID 82038384
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-indazole-6-carboxylic acid
CID 39220615
3-(3-chloro-2-methylphenyl)-2H-indazole-7-carboxylic acid
CID 39218805
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
3-chloro-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]benzoic acid
CID 170524797
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 6147438
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
2-ethyl-3-methylindazole-7-carboxylic acid
CID 84721863
8-hydroxy-4-methyl-2-phenylphthalazin-1-one
CID 5492996
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4615982
ethyl 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22775153
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396673

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid (CID 39220618) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid is Cc1nn(-c2ccccc2)c(C)c1-c1[nH]nc2c(C(=O)O)cccc12.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-carboxylic acid?
The InChIKey is WMCAEAPNIXKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-16(12(2)23(22-11)13-7-4-3-5-8-13)18-14-9-6-10-15(19(24)25)17(14)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)-2H-indazole-7-carboxylic acid?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2H-indazole-7-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)-2H-indazole-7-carboxylic acid is sourced from PubChem (CID 39220618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).