4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide

C20H24ClN5O2 — CID 46086264

IUPAC4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(Cl)c2C)cc1
InChIInChI=1S/C20H24ClN5O2/c1-5-11-25(12-6-2)20(27)15-7-9-16(10-8-15)26-13(3)17(21)18(24-26)19-23-22-14(4)28-19/h7-10H,5-6,11-12H2,1-4H3
InChIKeyLFXMQUHWZJBJHN-UHFFFAOYSA-N
MW401.90 g/mol
LogP4.45
Rot. Bonds7

About 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide

4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide (PubChem CID 46086264) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide
PubChem CID46086264
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(Cl)c2C)cc1
InChIInChI=1S/C20H24ClN5O2/c1-5-11-25(12-6-2)20(27)15-7-9-16(10-8-15)26-13(3)17(21)18(24-26)19-23-22-14(4)28-19/h7-10H,5-6,11-12H2,1-4H3
InChIKeyLFXMQUHWZJBJHN-UHFFFAOYSA-N
XLogP4.45
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide?
The IUPAC name of 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide (CID 46086264) is 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(Cl)c2C)cc1.
What is the InChIKey of 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide?
The InChIKey is LFXMQUHWZJBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-5-11-25(12-6-2)20(27)15-7-9-16(10-8-15)26-13(3)17(21)18(24-26)19-23-22-14(4)28-19/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide?
4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide has a molecular weight of 401.90 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide is sourced from PubChem (CID 46086264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).