3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine

C14H19N3O — CID 61165939

IUPAC3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
SMILESCOCCCNCc1ccccc1-n1cccn1
InChIInChI=1S/C14H19N3O/c1-18-11-5-8-15-12-13-6-2-3-7-14(13)17-10-4-9-16-17/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3
InChIKeyTUSJBMILPHZZPQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.00
Rot. Bonds7

About 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine

3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine (PubChem CID 61165939) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
PubChem CID61165939
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
SMILESCOCCCNCc1ccccc1-n1cccn1
InChIInChI=1S/C14H19N3O/c1-18-11-5-8-15-12-13-6-2-3-7-14(13)17-10-4-9-16-17/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3
InChIKeyTUSJBMILPHZZPQ-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 51089946
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
1-[2-[(2-pyrazol-1-ylphenyl)methylamino]ethyl]imidazolidin-2-one
CID 61166922
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 115682527
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine (CID 61165939) is 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine is COCCCNCc1ccccc1-n1cccn1.
What is the InChIKey of 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine?
The InChIKey is TUSJBMILPHZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-11-5-8-15-12-13-6-2-3-7-14(13)17-10-4-9-16-17/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3.
What are the key properties of 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine?
3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 61165939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).