ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate

C29H37N3O4 — CID 135341113

IUPACethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate
SMILESCCOCC1CCCN1C(=O)C1C=C(c2cccc(-n3ncc(C(=O)OCC)c3C3CC3)c2)CCC1
InChIInChI=1S/C29H37N3O4/c1-3-35-19-25-12-7-15-31(25)28(33)23-10-5-8-21(16-23)22-9-6-11-24(17-22)32-27(20-13-14-20)26(18-30-32)29(34)36-4-2/h6,9,11,16-18,20,23,25H,3-5,7-8,10,12-15,19H2,1-2H3
InChIKeyJUZAPPNTSLEKRT-UHFFFAOYSA-N
MW491.63 g/mol
LogP5.14
Rot. Bonds9

About ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate (PubChem CID 135341113) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate
PubChem CID135341113
Molecular FormulaC29H37N3O4
Molecular Weight491.63 g/mol
Exact Mass491.28
IUPAC Nameethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate
SMILESCCOCC1CCCN1C(=O)C1C=C(c2cccc(-n3ncc(C(=O)OCC)c3C3CC3)c2)CCC1
InChIInChI=1S/C29H37N3O4/c1-3-35-19-25-12-7-15-31(25)28(33)23-10-5-8-21(16-23)22-9-6-11-24(17-22)32-27(20-13-14-20)26(18-30-32)29(34)36-4-2/h6,9,11,16-18,20,23,25H,3-5,7-8,10,12-15,19H2,1-2H3
InChIKeyJUZAPPNTSLEKRT-UHFFFAOYSA-N
XLogP5.14
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-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 1-[3-[3-[cyclohexyl(methyl)carbamoyl]cyclohexen-1-yl]phenyl]-5-cyclopropylpyrazole-4-carboxylate
CID 126749383
ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate
CID 126754558
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
1-[3-[3-[(2S)-2-(ethoxymethyl)pyrrolidine-1-carbonyl]phenyl]phenyl]-5-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylic acid
CID 135343893
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
ethyl 5-cyclopropyl-1-[3-[(1R,3R)-3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)cyclohexyl]phenyl]pyrazole-4-carboxylate
CID 129024687
5-cyclopropyl-1-[3-[2-fluoro-3-[(2R)-2-propylpiperidine-1-carbonyl]phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754491
5-cyclopropyl-1-[3-[2-fluoro-3-(2-propylpiperidine-1-carbonyl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754339
5-cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 126749382
5-cyclopropyl-1-[3-[3-(oxolan-2-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754536
3-[3-(5-cyclopropyl-4-methoxycarbonylpyrazol-1-yl)phenyl]-2-fluorobenzoic acid
CID 126754407

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate (CID 135341113) is ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate is CCOCC1CCCN1C(=O)C1C=C(c2cccc(-n3ncc(C(=O)OCC)c3C3CC3)c2)CCC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate?
The InChIKey is JUZAPPNTSLEKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-3-35-19-25-12-7-15-31(25)28(33)23-10-5-8-21(16-23)22-9-6-11-24(17-22)32-27(20-13-14-20)26(18-30-32)29(34)36-4-2/h6,9,11,16-18,20,23,25H,3-5,7-8,10,12-15,19H2,1-2H3.
What are the key properties of ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate has a molecular weight of 491.63 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-[3-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 135341113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).