1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C19H23N5O2 — CID 50982566

IUPAC1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3cc(CC(C)C)nn3C)cc2)no1
InChIInChI=1S/C19H23N5O2/c1-12(2)9-16-10-17(24(4)22-16)19(25)20-11-14-5-7-15(8-6-14)18-21-13(3)26-23-18/h5-8,10,12H,9,11H2,1-4H3,(H,20,25)
InChIKeyPWGGAQSHKDQGOO-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.91
Rot. Bonds6

About 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 50982566) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID50982566
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3cc(CC(C)C)nn3C)cc2)no1
InChIInChI=1S/C19H23N5O2/c1-12(2)9-16-10-17(24(4)22-16)19(25)20-11-14-5-7-15(8-6-14)18-21-13(3)26-23-18/h5-8,10,12H,9,11H2,1-4H3,(H,20,25)
InChIKeyPWGGAQSHKDQGOO-UHFFFAOYSA-N
XLogP2.91
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 50982566) is 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is Cc1nc(-c2ccc(CNC(=O)c3cc(CC(C)C)nn3C)cc2)no1.
What is the InChIKey of 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is PWGGAQSHKDQGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)9-16-10-17(24(4)22-16)19(25)20-11-14-5-7-15(8-6-14)18-21-13(3)26-23-18/h5-8,10,12H,9,11H2,1-4H3,(H,20,25).
What are the key properties of 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 50982566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).