N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C20H25N3O — CID 75403919

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc2cc(CNc3c(C)nn(C(C)C)c3C)ccc2c1
InChIInChI=1S/C20H25N3O/c1-13(2)23-15(4)20(14(3)22-23)21-12-16-6-7-18-11-19(24-5)9-8-17(18)10-16/h6-11,13,21H,12H2,1-5H3
InChIKeyBDKCGNOFAGNYOQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.85
Rot. Bonds5

About N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 75403919) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID75403919
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc2cc(CNc3c(C)nn(C(C)C)c3C)ccc2c1
InChIInChI=1S/C20H25N3O/c1-13(2)23-15(4)20(14(3)22-23)21-12-16-6-7-18-11-19(24-5)9-8-17(18)10-16/h6-11,13,21H,12H2,1-5H3
InChIKeyBDKCGNOFAGNYOQ-UHFFFAOYSA-N
XLogP4.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine 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 N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 75403919) is N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is COc1ccc2cc(CNc3c(C)nn(C(C)C)c3C)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is BDKCGNOFAGNYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13(2)23-15(4)20(14(3)22-23)21-12-16-6-7-18-11-19(24-5)9-8-17(18)10-16/h6-11,13,21H,12H2,1-5H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 323.44 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 75403919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).