N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine

C17H25N3O — CID 64801948

IUPACN-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCCC(CC)n1ccc(COc2cccc(CNC)c2)n1
InChIInChI=1S/C17H25N3O/c1-4-16(5-2)20-10-9-15(19-20)13-21-17-8-6-7-14(11-17)12-18-3/h6-11,16,18H,4-5,12-13H2,1-3H3
InChIKeyCPZUJNRPRPSQCH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.54
Rot. Bonds8

About N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine

N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 64801948) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
PubChem CID64801948
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine
SMILESCCC(CC)n1ccc(COc2cccc(CNC)c2)n1
InChIInChI=1S/C17H25N3O/c1-4-16(5-2)20-10-9-15(19-20)13-21-17-8-6-7-14(11-17)12-18-3/h6-11,16,18H,4-5,12-13H2,1-3H3
InChIKeyCPZUJNRPRPSQCH-UHFFFAOYSA-N
XLogP3.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine 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-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 64799429
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 64771424
2-[4-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]acetonitrile
CID 64800919
N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 79268111
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 64800173
1-[3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 106485994
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996
1-[3-(furan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486019
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180
N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine
CID 62442521

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine (CID 64801948) is N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine is CCC(CC)n1ccc(COc2cccc(CNC)c2)n1.
What is the InChIKey of N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is CPZUJNRPRPSQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-16(5-2)20-10-9-15(19-20)13-21-17-8-6-7-14(11-17)12-18-3/h6-11,16,18H,4-5,12-13H2,1-3H3.
What are the key properties of N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine?
N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 64801948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).