4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide

C18H20ClN5O2 — CID 162668536

IUPAC4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nc(-c2ccc(CNC(=O)c3c(Cl)c(CC)nn3C)cc2)no1
InChIInChI=1S/C18H20ClN5O2/c1-4-13-15(19)16(24(3)22-13)18(25)20-10-11-6-8-12(9-7-11)17-21-14(5-2)26-23-17/h6-9H,4-5,10H2,1-3H3,(H,20,25)
InChIKeyCOFXPYYDONHAFN-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.18
Rot. Bonds6

About 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide

4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 162668536) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID162668536
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nc(-c2ccc(CNC(=O)c3c(Cl)c(CC)nn3C)cc2)no1
InChIInChI=1S/C18H20ClN5O2/c1-4-13-15(19)16(24(3)22-13)18(25)20-10-11-6-8-12(9-7-11)17-21-14(5-2)26-23-17/h6-9H,4-5,10H2,1-3H3,(H,20,25)
InChIKeyCOFXPYYDONHAFN-UHFFFAOYSA-N
XLogP3.18
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide (CID 162668536) is 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide is CCc1nc(-c2ccc(CNC(=O)c3c(Cl)c(CC)nn3C)cc2)no1.
What is the InChIKey of 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is COFXPYYDONHAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-4-13-15(19)16(24(3)22-13)18(25)20-10-11-6-8-12(9-7-11)17-21-14(5-2)26-23-17/h6-9H,4-5,10H2,1-3H3,(H,20,25).
What are the key properties of 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 162668536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).