ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate

C23H33N3O3 — CID 46082487

IUPACethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate
SMILESCCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2C(C)CC)cc1
InChIInChI=1S/C23H33N3O3/c1-6-14-25(15-7-2)22(27)18-10-12-19(13-11-18)26-21(17(5)8-3)16-20(24-26)23(28)29-9-4/h10-13,16-17H,6-9,14-15H2,1-5H3
InChIKeyBLIBQXDBFDYYMH-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.82
Rot. Bonds10

About ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate

ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate (PubChem CID 46082487) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate
PubChem CID46082487
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Nameethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate
SMILESCCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2C(C)CC)cc1
InChIInChI=1S/C23H33N3O3/c1-6-14-25(15-7-2)22(27)18-10-12-19(13-11-18)26-21(17(5)8-3)16-20(24-26)23(28)29-9-4/h10-13,16-17H,6-9,14-15H2,1-5H3
InChIKeyBLIBQXDBFDYYMH-UHFFFAOYSA-N
XLogP4.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate 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

ethyl 5-(4-bromophenyl)-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 46082509
ethyl 5-butan-2-yl-1-[4-(3,3-diphenylpropylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 46082780
ethyl 5-propan-2-yl-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 22831913
ethyl 5-[(2S)-butan-2-yl]-1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazole-3-carboxylate
CID 92770915
ethyl 5-(4-ethylphenyl)-1-[4-[methyl(propyl)carbamoyl]phenyl]pyrazole-3-carboxylate
CID 46090761
4-(5-amino-3-ethoxycarbonylpyrazol-1-yl)benzoic acid
CID 59001333
ethyl 5-(3,4-dimethylphenyl)-1-[4-[methyl(2-methylpropyl)carbamoyl]phenyl]pyrazole-3-carboxylate
CID 46090711
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
ethyl 1-[4-[cyclohexyl(ethyl)carbamoyl]phenyl]-5-cyclopropylpyrazole-3-carboxylate
CID 46089820
ethyl 1-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]-5-pentan-3-ylpyrazole-3-carboxylate
CID 92761218
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
ethyl 5-(2,4-dichlorophenyl)-1-[4-[methyl(2-methylpropyl)carbamoyl]phenyl]pyrazole-3-carboxylate
CID 46082337

Frequently Asked Questions

What is the IUPAC name of ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate (CID 46082487) is ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate is CCCN(CCC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2C(C)CC)cc1.
What is the InChIKey of ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate?
The InChIKey is BLIBQXDBFDYYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-6-14-25(15-7-2)22(27)18-10-12-19(13-11-18)26-21(17(5)8-3)16-20(24-26)23(28)29-9-4/h10-13,16-17H,6-9,14-15H2,1-5H3.
What are the key properties of ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate?
ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate has a molecular weight of 399.54 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-butan-2-yl-1-[4-(dipropylcarbamoyl)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 46082487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).