ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate

C19H22F2N2O3 — CID 155311590

IUPACethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(OC(F)F)cc2)c1C1CCCC1
InChIInChI=1S/C19H22F2N2O3/c1-3-25-18(24)16-12(2)22-23(17(16)13-6-4-5-7-13)14-8-10-15(11-9-14)26-19(20)21/h8-11,13,19H,3-7H2,1-2H3
InChIKeySZRWRKGAESDIGC-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.62
Rot. Bonds6

About ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate

ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate (PubChem CID 155311590) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate
PubChem CID155311590
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Nameethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(OC(F)F)cc2)c1C1CCCC1
InChIInChI=1S/C19H22F2N2O3/c1-3-25-18(24)16-12(2)22-23(17(16)13-6-4-5-7-13)14-8-10-15(11-9-14)26-19(20)21/h8-11,13,19H,3-7H2,1-2H3
InChIKeySZRWRKGAESDIGC-UHFFFAOYSA-N
XLogP4.62
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate (CID 155311590) is ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ccc(OC(F)F)cc2)c1C1CCCC1.
What is the InChIKey of ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate?
The InChIKey is SZRWRKGAESDIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-3-25-18(24)16-12(2)22-23(17(16)13-6-4-5-7-13)14-8-10-15(11-9-14)26-19(20)21/h8-11,13,19H,3-7H2,1-2H3.
What are the key properties of ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate?
ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate has a molecular weight of 364.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopentyl-1-[4-(difluoromethoxy)phenyl]-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 155311590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).