1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

C15H13ClN4O3 — CID 75508983

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
SMILESCc1nnc(C(C)OC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H13ClN4O3/c1-8(14-20-18-9(2)23-14)22-15(21)12-7-17-19-13(12)10-3-5-11(16)6-4-10/h3-8H,1-2H3,(H,17,19)
InChIKeyQTCZZVVOBWEXLE-UHFFFAOYSA-N
MW332.75 g/mol
LogP3.34
Rot. Bonds4

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate (PubChem CID 75508983) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
PubChem CID75508983
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
SMILESCc1nnc(C(C)OC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H13ClN4O3/c1-8(14-20-18-9(2)23-14)22-15(21)12-7-17-19-13(12)10-3-5-11(16)6-4-10/h3-8H,1-2H3,(H,17,19)
InChIKeyQTCZZVVOBWEXLE-UHFFFAOYSA-N
XLogP3.34
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-bromo-4-chlorobenzoate
CID 86779255
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-chloro-2-ethylsulfanylbenzoate
CID 84600040
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-chlorobenzoate
CID 9413145
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-fluoro-5-(trifluoromethyl)benzoate
CID 75513033
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chlorobenzoate
CID 9412590
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-fluoropyridine-3-carboxylate
CID 155949460
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chlorobenzoate
CID 7603572
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
CID 18196843
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-chloropyridine-3-carboxylate
CID 46824119
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chloropyridine-3-carboxylate
CID 9415797

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate (CID 75508983) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate is Cc1nnc(C(C)OC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate?
The InChIKey is QTCZZVVOBWEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c1-8(14-20-18-9(2)23-14)22-15(21)12-7-17-19-13(12)10-3-5-11(16)6-4-10/h3-8H,1-2H3,(H,17,19).
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate?
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate has a molecular weight of 332.75 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 75508983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).