4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine

C17H25N3O — CID 105190345

IUPAC4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H25N3O/c1-3-12-18-16(10-7-14-21-2)17-11-13-20(19-17)15-8-5-4-6-9-15/h4-6,8-9,11,13,16,18H,3,7,10,12,14H2,1-2H3
InChIKeyAIBJZASTFBQZOQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.34
Rot. Bonds9

About 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine

4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 105190345) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID105190345
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H25N3O/c1-3-12-18-16(10-7-14-21-2)17-11-13-20(19-17)15-8-5-4-6-9-15/h4-6,8-9,11,13,16,18H,3,7,10,12,14H2,1-2H3
InChIKeyAIBJZASTFBQZOQ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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

N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124562
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
1-(5-bromo-2-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 114856960
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
CID 105108672
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
1-(1-phenylpyrazol-3-yl)oct-7-enylhydrazine
CID 107013000
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine (CID 105190345) is 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNC(CCCOC)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is AIBJZASTFBQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-12-18-16(10-7-14-21-2)17-11-13-20(19-17)15-8-5-4-6-9-15/h4-6,8-9,11,13,16,18H,3,7,10,12,14H2,1-2H3.
What are the key properties of 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine?
4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-phenylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105190345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).