N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine

C15H19N3O3 — CID 115607997

IUPACN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCOc1cc(CNc2cnn(C(C)C)c2)cc2c1OCO2
InChIInChI=1S/C15H19N3O3/c1-10(2)18-8-12(7-17-18)16-6-11-4-13(19-3)15-14(5-11)20-9-21-15/h4-5,7-8,10,16H,6,9H2,1-3H3
InChIKeyJYKXDNHDSXBMFG-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.81
Rot. Bonds5

About N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 115607997) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID115607997
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
SMILESCOc1cc(CNc2cnn(C(C)C)c2)cc2c1OCO2
InChIInChI=1S/C15H19N3O3/c1-10(2)18-8-12(7-17-18)16-6-11-4-13(19-3)15-14(5-11)20-9-21-15/h4-5,7-8,10,16H,6,9H2,1-3H3
InChIKeyJYKXDNHDSXBMFG-UHFFFAOYSA-N
XLogP2.81
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-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

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62904039
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanylaniline
CID 115585072
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylbutan-2-amine
CID 113218807
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 115581271
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indazol-5-amine
CID 23734124
[3-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]phenyl]methanol
CID 115686476
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 50977720
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108
1-ethoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propan-2-amine
CID 115614634

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine (CID 115607997) is N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine is COc1cc(CNc2cnn(C(C)C)c2)cc2c1OCO2.
What is the InChIKey of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is JYKXDNHDSXBMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)18-8-12(7-17-18)16-6-11-4-13(19-3)15-14(5-11)20-9-21-15/h4-5,7-8,10,16H,6,9H2,1-3H3.
What are the key properties of N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine?
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 289.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 115607997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).