3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

C17H25N3O — CID 103720531

IUPAC3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCC(C)COc1cccc(NCc2cnn(C(C)C)c2)c1
InChIInChI=1S/C17H25N3O/c1-13(2)12-21-17-7-5-6-16(8-17)18-9-15-10-19-20(11-15)14(3)4/h5-8,10-11,13-14,18H,9,12H2,1-4H3
InChIKeyPRFYWTVPSANWSO-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.11
Rot. Bonds7

About 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 103720531) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID103720531
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCC(C)COc1cccc(NCc2cnn(C(C)C)c2)c1
InChIInChI=1S/C17H25N3O/c1-13(2)12-21-17-7-5-6-16(8-17)18-9-15-10-19-20(11-15)14(3)4/h5-8,10-11,13-14,18H,9,12H2,1-4H3
InChIKeyPRFYWTVPSANWSO-UHFFFAOYSA-N
XLogP4.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline 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

3-(2-methylpropoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103720534
2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64829217
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
CID 54802906
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 63449936
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (CID 103720531) is 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is CC(C)COc1cccc(NCc2cnn(C(C)C)c2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is PRFYWTVPSANWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)12-21-17-7-5-6-16(8-17)18-9-15-10-19-20(11-15)14(3)4/h5-8,10-11,13-14,18H,9,12H2,1-4H3.
What are the key properties of 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103720531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).