ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate

C19H16F3N3O2 — CID 22268014

IUPACethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc3ncccc3cc2C(F)(F)F)c1C1CC1
InChIInChI=1S/C19H16F3N3O2/c1-2-27-18(26)13-10-24-25(17(13)11-5-6-11)16-9-15-12(4-3-7-23-15)8-14(16)19(20,21)22/h3-4,7-11H,2,5-6H2,1H3
InChIKeyHONXRCNRMIFFFI-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.49
Rot. Bonds4

About ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate (PubChem CID 22268014) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate
PubChem CID22268014
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Nameethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc3ncccc3cc2C(F)(F)F)c1C1CC1
InChIInChI=1S/C19H16F3N3O2/c1-2-27-18(26)13-10-24-25(17(13)11-5-6-11)16-9-15-12(4-3-7-23-15)8-14(16)19(20,21)22/h3-4,7-11H,2,5-6H2,1H3
InChIKeyHONXRCNRMIFFFI-UHFFFAOYSA-N
XLogP4.49
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(6-fluoroquinolin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610524
ethyl 5-cyclopropyl-1-(2,3-dimethoxyphenyl)pyrazole-4-carboxylate
CID 22268010
ethyl 5-cyclopropyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 63234939
ethyl 5-cyclopropyl-1-(4-methylphenyl)pyrazole-4-carboxylate
CID 63235023
ethyl 5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 63235121
ethyl 1-(2-chloro-5-methoxyphenyl)-5-cyclopropylpyrazole-4-carboxylate
CID 22267642
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141
ethyl 1-[2-chloro-4-(dimethylsulfamoyl)phenyl]-5-cyclopropylpyrazole-4-carboxylate
CID 22267580
ethyl 1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610378
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
ethyl 5-cyclopropyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate
CID 63274986
ethyl 2,2-difluoro-3-oxo-3-quinolin-6-ylpropanoate
CID 63095632

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate (CID 22268014) is ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc3ncccc3cc2C(F)(F)F)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate?
The InChIKey is HONXRCNRMIFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-2-27-18(26)13-10-24-25(17(13)11-5-6-11)16-9-15-12(4-3-7-23-15)8-14(16)19(20,21)22/h3-4,7-11H,2,5-6H2,1H3.
What are the key properties of ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate has a molecular weight of 375.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-[6-(trifluoromethyl)quinolin-7-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 22268014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).