4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid

C24H26N2O2 — CID 14726560

IUPAC4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)[nH]n3)ccc21
InChIInChI=1S/C24H26N2O2/c1-23(2)11-12-24(3,4)19-13-17(9-10-18(19)23)21-14-20(25-26-21)15-5-7-16(8-6-15)22(27)28/h5-10,13-14H,11-12H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyNRAVEZHQNMKDRD-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.79
Rot. Bonds3

About 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid

4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid (PubChem CID 14726560) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid
PubChem CID14726560
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)[nH]n3)ccc21
InChIInChI=1S/C24H26N2O2/c1-23(2)11-12-24(3,4)19-13-17(9-10-18(19)23)21-14-20(25-26-21)15-5-7-16(8-6-15)22(27)28/h5-10,13-14H,11-12H2,1-4H3,(H,25,26)(H,27,28)
InChIKeyNRAVEZHQNMKDRD-UHFFFAOYSA-N
XLogP5.79
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid with MolForge

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Related Compounds

3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 818267
5-(2,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid
CID 4274816
3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 4598704
5-(naphthalen-2-yl)-1H-pyrazole-3-carboxylic acid
CID 776418
5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid
CID 3350092
Methyl 3-(naphthalen-2-yl)-1H-pyrazole-5-carboxylate
CID 2771808
4-(7,7,10,10-tetramethyl-4,5,8,9-tetrahydro-1H-naphtho[2,3-g]indazol-3-yl)benzoic acid
CID 11741727
4-(1H-indazol-3-yl)benzoic acid
CID 68765349
3-(4-ethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 3524248
2-[(E)-({[3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazol-5-yl]carbonyl}hydrazono)methyl]benzoic acid
CID 6865086
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 56840672
5-methyl-4-[2-(4-phenylphenyl)ethyl]-1H-pyrazole-3-carboxylic acid
CID 70687707

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid?
The IUPAC name of 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid (CID 14726560) is 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid?
The canonical SMILES for 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid is CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)O)cc4)[nH]n3)ccc21.
What is the InChIKey of 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid?
The InChIKey is NRAVEZHQNMKDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-23(2)11-12-24(3,4)19-13-17(9-10-18(19)23)21-14-20(25-26-21)15-5-7-16(8-6-15)22(27)28/h5-10,13-14H,11-12H2,1-4H3,(H,25,26)(H,27,28).
What are the key properties of 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid?
4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid has a molecular weight of 374.48 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-pyrazol-5-yl]benzoic acid is sourced from PubChem (CID 14726560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).