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

C16H23N3O — CID 71940321

IUPACN-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(CNc2c(C)nn(C(C)C)c2C)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)19-13(4)16(12(3)18-19)17-10-14-6-8-15(20-5)9-7-14/h6-9,11,17H,10H2,1-5H3
InChIKeyAKKPTXAGMHRQSQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.70
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 71940321) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID71940321
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(CNc2c(C)nn(C(C)C)c2C)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)19-13(4)16(12(3)18-19)17-10-14-6-8-15(20-5)9-7-14/h6-9,11,17H,10H2,1-5H3
InChIKeyAKKPTXAGMHRQSQ-UHFFFAOYSA-N
XLogP3.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 71940321) is N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is COc1ccc(CNc2c(C)nn(C(C)C)c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is AKKPTXAGMHRQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)19-13(4)16(12(3)18-19)17-10-14-6-8-15(20-5)9-7-14/h6-9,11,17H,10H2,1-5H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 71940321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).