1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C19H25N5O — CID 51075985

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCCc1noc(CN(C)Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C19H25N5O/c1-5-9-18-20-19(25-22-18)13-23(4)12-17-14(2)21-24(15(17)3)16-10-7-6-8-11-16/h6-8,10-11H,5,9,12-13H2,1-4H3
InChIKeyPTUDJDBDLQYBMK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.46
Rot. Bonds7

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 51075985) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID51075985
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCCc1noc(CN(C)Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C19H25N5O/c1-5-9-18-20-19(25-22-18)13-23(4)12-17-14(2)21-24(15(17)3)16-10-7-6-8-11-16/h6-8,10-11H,5,9,12-13H2,1-4H3
InChIKeyPTUDJDBDLQYBMK-UHFFFAOYSA-N
XLogP3.46
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 51075985) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CCCc1noc(CN(C)Cc2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is PTUDJDBDLQYBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-9-18-20-19(25-22-18)13-23(4)12-17-14(2)21-24(15(17)3)16-10-7-6-8-11-16/h6-8,10-11H,5,9,12-13H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 339.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 51075985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).