CID 164738467

C26H30N3O3 — CID 164738467

IUPAC—
SMILESCc1c(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H30N3O3/c1-18-22(24(30)32-21-16-25(2,3)29(31)26(4,5)17-21)27-28(20-14-10-7-11-15-20)23(18)19-12-8-6-9-13-19/h6-15,21H,16-17H2,1-5H3
InChIKeyPVQAIQKMKSMYFN-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.37
Rot. Bonds4

About CID 164738467

CID 164738467 (PubChem CID 164738467) has the molecular formula C26H30N3O3 and a molecular weight of 432.54 g/mol.

Molecular Properties

Compound NameCID 164738467
PubChem CID164738467
Molecular FormulaC26H30N3O3
Molecular Weight432.54 g/mol
Exact Mass432.23
IUPAC Name—
SMILESCc1c(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H30N3O3/c1-18-22(24(30)32-21-16-25(2,3)29(31)26(4,5)17-21)27-28(20-14-10-7-11-15-20)23(18)19-12-8-6-9-13-19/h6-15,21H,16-17H2,1-5H3
InChIKeyPVQAIQKMKSMYFN-UHFFFAOYSA-N
XLogP5.37
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-Benzoyl-1-m-tolyl-1H-pyrazole-3-carboxylic acid ethyl ester
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2-[5-ethoxycarbonyl-3-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzoic Acid
CID 4386631
dimethyl 1,3-diphenyl-1H-pyrazole-4,5-dicarboxylate
CID 796636
ethyl 4-benzoyl-1-(2-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylate
CID 1234270
ethyl 4-benzoyl-1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylate
CID 1234273
[2-(Methylamino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 2427703
ethyl 4-benzoyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
CID 11948801
Ethyl 1-benzyl-3-p-tolyl-1H-pyrazole-5-carboxylate
CID 15990984
Propan-2-yl 1-benzoylindazole-3-carboxylate
CID 53357863
Propan-2-yl 1-(3-methylbenzoyl)indazole-3-carboxylate
CID 56659695
Ethyl 4-[(tert-butylamino)methyl]-5-(4-chlorophenyl)-1-phenylpyrazole-3-carboxylate
CID 162653286

Frequently Asked Questions

What is the IUPAC name of CID 164738467?
The IUPAC name of CID 164738467 (CID 164738467) is not available.
What is the SMILES notation for CID 164738467?
The canonical SMILES for CID 164738467 is Cc1c(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of CID 164738467?
The InChIKey is PVQAIQKMKSMYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N3O3/c1-18-22(24(30)32-21-16-25(2,3)29(31)26(4,5)17-21)27-28(20-14-10-7-11-15-20)23(18)19-12-8-6-9-13-19/h6-15,21H,16-17H2,1-5H3.
What are the key properties of CID 164738467?
CID 164738467 has a molecular weight of 432.54 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164738467 is sourced from PubChem (CID 164738467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).