5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine

C17H24N4O — CID 142202654

IUPAC5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine
SMILESCCCC(c1ccc(N2CCOCC2)cc1)c1cc(N)n[nH]1
InChIInChI=1S/C17H24N4O/c1-2-3-15(16-12-17(18)20-19-16)13-4-6-14(7-5-13)21-8-10-22-11-9-21/h4-7,12,15H,2-3,8-11H2,1H3,(H3,18,19,20)
InChIKeyXBDGPEQAFZGDBJ-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.76
Rot. Bonds5

About 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine

5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine (PubChem CID 142202654) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine
PubChem CID142202654
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine
SMILESCCCC(c1ccc(N2CCOCC2)cc1)c1cc(N)n[nH]1
InChIInChI=1S/C17H24N4O/c1-2-3-15(16-12-17(18)20-19-16)13-4-6-14(7-5-13)21-8-10-22-11-9-21/h4-7,12,15H,2-3,8-11H2,1H3,(H3,18,19,20)
InChIKeyXBDGPEQAFZGDBJ-UHFFFAOYSA-N
XLogP2.76
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
CID 174948400
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
(1S)-2-methyl-1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 124563582
N-butyl-4-morpholin-4-ylaniline
CID 28675754
2-amino-2-(4-morpholin-4-ylphenyl)ethanethiol
CID 87683185
5-(5-morpholin-4-yl-2-pyridinyl)pyridin-2-amine
CID 172791169
4-(4-ethylphenyl)morpholine
CID 20576442
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylaniline
CID 43644963
tributyl-(5-morpholin-4-yl-2-pyridinyl)stannane
CID 73357508
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
4-(4-morpholin-4-ylphenyl)butan-2-amine
CID 23009589
6-(4-morpholin-4-ylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 68913237

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine (CID 142202654) is 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine is CCCC(c1ccc(N2CCOCC2)cc1)c1cc(N)n[nH]1.
What is the InChIKey of 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine?
The InChIKey is XBDGPEQAFZGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-15(16-12-17(18)20-19-16)13-4-6-14(7-5-13)21-8-10-22-11-9-21/h4-7,12,15H,2-3,8-11H2,1H3,(H3,18,19,20).
What are the key properties of 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine?
5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine has a molecular weight of 300.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-morpholin-4-ylphenyl)butyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 142202654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).