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

C17H21N7O2 — CID 72930844

IUPAC1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
SMILESCCc1nnc(CN(CC)C(=O)Nc2cc(-c3ccccn3)nn2C)o1
InChIInChI=1S/C17H21N7O2/c1-4-15-20-21-16(26-15)11-24(5-2)17(25)19-14-10-13(22-23(14)3)12-8-6-7-9-18-12/h6-10H,4-5,11H2,1-3H3,(H,19,25)
InChIKeyIPKJXEIDVNMTHU-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.48
Rot. Bonds6

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

1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea (PubChem CID 72930844) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
PubChem CID72930844
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea
SMILESCCc1nnc(CN(CC)C(=O)Nc2cc(-c3ccccn3)nn2C)o1
InChIInChI=1S/C17H21N7O2/c1-4-15-20-21-16(26-15)11-24(5-2)17(25)19-14-10-13(22-23(14)3)12-8-6-7-9-18-12/h6-10H,4-5,11H2,1-3H3,(H,19,25)
InChIKeyIPKJXEIDVNMTHU-UHFFFAOYSA-N
XLogP2.48
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea (CID 72930844) is 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea is CCc1nnc(CN(CC)C(=O)Nc2cc(-c3ccccn3)nn2C)o1.
What is the InChIKey of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea?
The InChIKey is IPKJXEIDVNMTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-4-15-20-21-16(26-15)11-24(5-2)17(25)19-14-10-13(22-23(14)3)12-8-6-7-9-18-12/h6-10H,4-5,11H2,1-3H3,(H,19,25).
What are the key properties of 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea?
1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea has a molecular weight of 355.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 72930844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).