N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

C18H19FN4O2 — CID 87043664

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2nc(C)c(C)o2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2/c1-4-16-15(9-21-23(16)14-7-5-13(19)6-8-14)18(24)20-10-17-22-11(2)12(3)25-17/h5-9H,4,10H2,1-3H3,(H,20,24)
InChIKeyVVWNJVSFMZHCFC-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.11
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 87043664) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID87043664
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2nc(C)c(C)o2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2/c1-4-16-15(9-21-23(16)14-7-5-13(19)6-8-14)18(24)20-10-17-22-11(2)12(3)25-17/h5-9H,4,10H2,1-3H3,(H,20,24)
InChIKeyVVWNJVSFMZHCFC-UHFFFAOYSA-N
XLogP3.11
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 87043664) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCc2nc(C)c(C)o2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is VVWNJVSFMZHCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-4-16-15(9-21-23(16)14-7-5-13(19)6-8-14)18(24)20-10-17-22-11(2)12(3)25-17/h5-9H,4,10H2,1-3H3,(H,20,24).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 87043664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).