1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C17H20ClN5O2 — CID 77094175

IUPAC1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCOCCc1noc(CN(C)Cc2cnn(-c3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C17H20ClN5O2/c1-22(12-17-20-16(21-25-17)7-8-24-2)10-13-9-19-23(11-13)15-5-3-14(18)4-6-15/h3-6,9,11H,7-8,10,12H2,1-2H3
InChIKeyCSDUEBXWPFUECM-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.73
Rot. Bonds8

About 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 77094175) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID77094175
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCOCCc1noc(CN(C)Cc2cnn(-c3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C17H20ClN5O2/c1-22(12-17-20-16(21-25-17)7-8-24-2)10-13-9-19-23(11-13)15-5-3-14(18)4-6-15/h3-6,9,11H,7-8,10,12H2,1-2H3
InChIKeyCSDUEBXWPFUECM-UHFFFAOYSA-N
XLogP2.73
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 77094175) is 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is COCCc1noc(CN(C)Cc2cnn(-c3ccc(Cl)cc3)c2)n1.
What is the InChIKey of 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is CSDUEBXWPFUECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-22(12-17-20-16(21-25-17)7-8-24-2)10-13-9-19-23(11-13)15-5-3-14(18)4-6-15/h3-6,9,11H,7-8,10,12H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 361.83 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)pyrazol-4-yl]-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 77094175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).