N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine

C17H25N3O — CID 82872963

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine
SMILESCCCCCOc1ccc(CNCc2ccn(C)n2)cc1
InChIInChI=1S/C17H25N3O/c1-3-4-5-12-21-17-8-6-15(7-9-17)13-18-14-16-10-11-20(2)19-16/h6-11,18H,3-5,12-14H2,1-2H3
InChIKeyDXTVULSLHNLORC-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.28
Rot. Bonds9

About N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine

N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine (PubChem CID 82872963) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine
PubChem CID82872963
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine
SMILESCCCCCOc1ccc(CNCc2ccn(C)n2)cc1
InChIInChI=1S/C17H25N3O/c1-3-4-5-12-21-17-8-6-15(7-9-17)13-18-14-16-10-11-20(2)19-16/h6-11,18H,3-5,12-14H2,1-2H3
InChIKeyDXTVULSLHNLORC-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)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

1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618961
1-(4-pentoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 28670478
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
N-[(4-pentoxyphenyl)methyl]prop-2-yn-1-amine
CID 29049488
1-(4-butoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
CID 171051063
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[(4-hexoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 54805408
2-[(4-octoxyphenyl)methylamino]acetaldehyde
CID 170224550
2-methyl-3-methylsulfanyl-N-[(4-pentoxyphenyl)methyl]propan-1-amine
CID 63981906
N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine (CID 82872963) is N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine is CCCCCOc1ccc(CNCc2ccn(C)n2)cc1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine?
The InChIKey is DXTVULSLHNLORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-4-5-12-21-17-8-6-15(7-9-17)13-18-14-16-10-11-20(2)19-16/h6-11,18H,3-5,12-14H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine?
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine is sourced from PubChem (CID 82872963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).