CID 44819660

C19H17N2O3 — CID 44819660

IUPAC—
SMILESCCOC(=O)c1cc([C]2[CH][CH][CH][CH]2)nn1CC(=O)c1ccccc1
InChIInChI=1S/C19H17N2O3/c1-2-24-19(23)17-12-16(14-8-6-7-9-14)20-21(17)13-18(22)15-10-4-3-5-11-15/h3-12H,2,13H2,1H3
InChIKeyYJFIOFQFZULVQC-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.70
Rot. Bonds6

About CID 44819660

CID 44819660 (PubChem CID 44819660) has the molecular formula C19H17N2O3 and a molecular weight of 321.36 g/mol.

Molecular Properties

Compound NameCID 44819660
PubChem CID44819660
Molecular FormulaC19H17N2O3
Molecular Weight321.36 g/mol
Exact Mass321.12
IUPAC Name—
SMILESCCOC(=O)c1cc([C]2[CH][CH][CH][CH]2)nn1CC(=O)c1ccccc1
InChIInChI=1S/C19H17N2O3/c1-2-24-19(23)17-12-16(14-8-6-7-9-14)20-21(17)13-18(22)15-10-4-3-5-11-15/h3-12H,2,13H2,1H3
InChIKeyYJFIOFQFZULVQC-UHFFFAOYSA-N
XLogP2.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze CID 44819660 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-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 6498679
Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
1-Benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
CID 2744515
Ethyl 1-(2-cyanoethyl)-3-phenylpyrazole-5-carboxylate
CID 2389332
Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
4-Benzoyl-1-m-tolyl-1H-pyrazole-3-carboxylic acid ethyl ester
CID 706767
2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate
CID 660944
methyl 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzenecarboxylate
CID 1485771
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
3-Tert-butyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-5-carboxylic acid
CID 162671900
2-(4-chlorophenyl)-2-oxoethyl 1-ethyl-3-methyl-1H-pyrazole-5-carboxylate
CID 2810161
ethyl 4-acetyl-5-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
CID 1237112

Frequently Asked Questions

What is the IUPAC name of CID 44819660?
The IUPAC name of CID 44819660 (CID 44819660) is not available.
What is the SMILES notation for CID 44819660?
The canonical SMILES for CID 44819660 is CCOC(=O)c1cc([C]2[CH][CH][CH][CH]2)nn1CC(=O)c1ccccc1.
What is the InChIKey of CID 44819660?
The InChIKey is YJFIOFQFZULVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N2O3/c1-2-24-19(23)17-12-16(14-8-6-7-9-14)20-21(17)13-18(22)15-10-4-3-5-11-15/h3-12H,2,13H2,1H3.
What are the key properties of CID 44819660?
CID 44819660 has a molecular weight of 321.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44819660 is sourced from PubChem (CID 44819660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).