3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea

C19H24N6O2 — CID 72887563

IUPAC3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCCc1nnc(CN(CC)C(=O)Nc2c(C)c(-c3ccccc3)nn2C)o1
InChIInChI=1S/C19H24N6O2/c1-5-15-21-22-16(27-15)12-25(6-2)19(26)20-18-13(3)17(23-24(18)4)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3,(H,20,26)
InChIKeyNDOJDQSYCIJETK-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.39
Rot. Bonds6

About 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea

3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 72887563) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID72887563
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCCc1nnc(CN(CC)C(=O)Nc2c(C)c(-c3ccccc3)nn2C)o1
InChIInChI=1S/C19H24N6O2/c1-5-15-21-22-16(27-15)12-25(6-2)19(26)20-18-13(3)17(23-24(18)4)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3,(H,20,26)
InChIKeyNDOJDQSYCIJETK-UHFFFAOYSA-N
XLogP3.39
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 72887563) is 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea is CCc1nnc(CN(CC)C(=O)Nc2c(C)c(-c3ccccc3)nn2C)o1.
What is the InChIKey of 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is NDOJDQSYCIJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-5-15-21-22-16(27-15)12-25(6-2)19(26)20-18-13(3)17(23-24(18)4)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3,(H,20,26).
What are the key properties of 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea?
3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 368.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 72887563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).