1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine

C17H25N3O — CID 105048844

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine
SMILESCCCn1ncc(OC)c1C(N)C(CC)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-4-11-20-17(15(21-3)12-19-20)16(18)14(5-2)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11,18H2,1-3H3
InChIKeyDNTMHKNGZLBWHY-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.50
Rot. Bonds7

About 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine

1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine (PubChem CID 105048844) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine
PubChem CID105048844
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine
SMILESCCCn1ncc(OC)c1C(N)C(CC)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-4-11-20-17(15(21-3)12-19-20)16(18)14(5-2)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11,18H2,1-3H3
InChIKeyDNTMHKNGZLBWHY-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105047114
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenoxyethanamine
CID 114649620
3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114663919
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698
[1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195259
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114649071
[1-(4-bromo-1-propylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105336660
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114656350

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine (CID 105048844) is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine is CCCn1ncc(OC)c1C(N)C(CC)c1ccccc1.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine?
The InChIKey is DNTMHKNGZLBWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-11-20-17(15(21-3)12-19-20)16(18)14(5-2)13-9-7-6-8-10-13/h6-10,12,14,16H,4-5,11,18H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine?
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 105048844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).