ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate

C29H30N4O2 — CID 126754558

IUPACethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(-c3cccc(-n4ncc5c4C(C)(C)CC5)c3)c2)c1C1CC1
InChIInChI=1S/C29H30N4O2/c1-4-35-28(34)25-18-31-32(26(25)19-11-12-19)23-9-5-7-20(15-23)21-8-6-10-24(16-21)33-27-22(17-30-33)13-14-29(27,2)3/h5-10,15-19H,4,11-14H2,1-3H3
InChIKeyVZFUETCJFKSGHG-UHFFFAOYSA-N
MW466.59 g/mol
LogP6.00
Rot. Bonds6

About ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate (PubChem CID 126754558) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate
PubChem CID126754558
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Nameethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccc(-c3cccc(-n4ncc5c4C(C)(C)CC5)c3)c2)c1C1CC1
InChIInChI=1S/C29H30N4O2/c1-4-35-28(34)25-18-31-32(26(25)19-11-12-19)23-9-5-7-20(15-23)21-8-6-10-24(16-21)33-27-22(17-30-33)13-14-29(27,2)3/h5-10,15-19H,4,11-14H2,1-3H3
InChIKeyVZFUETCJFKSGHG-UHFFFAOYSA-N
XLogP6.00
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

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
ethyl 1-[6-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 126754129
1-[3-[3-[4-(1-ethoxyethenyl)-5-[(1R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazol-1-yl]phenyl]phenyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazole
CID 129025066
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
ethyl 1-[3-[3-[cyclohexyl(methyl)carbamoyl]cyclohexen-1-yl]phenyl]-5-cyclopropylpyrazole-4-carboxylate
CID 126749383
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-[3-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]cyclohexen-1-yl]phenyl]pyrazole-4-carboxylate
CID 135341113
1-[1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]-5-(trifluoromethyl)pyrazol-4-yl]ethenol
CID 145289723
ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate
CID 22268010
ethyl 1-[3-(3-hydrazinylphenyl)phenyl]-5-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylate
CID 139351705
ethyl 5-[2-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]cyclopropyl]-1-[3-(3-hydroxyphenyl)phenyl]pyrazole-4-carboxylate
CID 129024850

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate (CID 126754558) is ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccc(-c3cccc(-n4ncc5c4C(C)(C)CC5)c3)c2)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate?
The InChIKey is VZFUETCJFKSGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-4-35-28(34)25-18-31-32(26(25)19-11-12-19)23-9-5-7-20(15-23)21-8-6-10-24(16-21)33-27-22(17-30-33)13-14-29(27,2)3/h5-10,15-19H,4,11-14H2,1-3H3.
What are the key properties of ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-[3-[3-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate has a molecular weight of 466.59 g/mol, XLogP of 6.00, 6 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-(6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 126754558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).