1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol

C19H25N5O — CID 166993484

IUPAC1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol
SMILESCCCN(CCCn1cc(-c2cnc3ccccc3n2)cn1)C(C)O
InChIInChI=1S/C19H25N5O/c1-3-9-23(15(2)25)10-6-11-24-14-16(12-21-24)19-13-20-17-7-4-5-8-18(17)22-19/h4-5,7-8,12-15,25H,3,6,9-11H2,1-2H3
InChIKeyUGPKOOARFVJXSH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.93
Rot. Bonds8

About 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol

1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol (PubChem CID 166993484) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol.

Molecular Properties

Compound Name1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol
PubChem CID166993484
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol
SMILESCCCN(CCCn1cc(-c2cnc3ccccc3n2)cn1)C(C)O
InChIInChI=1S/C19H25N5O/c1-3-9-23(15(2)25)10-6-11-24-14-16(12-21-24)19-13-20-17-7-4-5-8-18(17)22-19/h4-5,7-8,12-15,25H,3,6,9-11H2,1-2H3
InChIKeyUGPKOOARFVJXSH-UHFFFAOYSA-N
XLogP2.93
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(4-quinoxalin-2-ylpyrazol-1-yl)butyl]carbamate
CID 170778380
N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide
CID 175695211
(1-propylpyrazol-4-yl)-quinoxalin-2-ylmethanol
CID 107357558
6-[4-(8-methylquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
CID 174190296
(2R)-1-(N-[3-[1-(3-aminopropyl)pyrazol-4-yl]quinoxalin-6-yl]-3,5-dimethoxyanilino)-3-methoxypropan-2-ol
CID 89447571
N-(3,5-dimethoxyphenyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]-N-propylquinoxalin-6-amine
CID 122644066
7-[4-[7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]-N-hydroxyheptanamide
CID 166642476
methyl 6-[4-[7-[3,5-dimethyl-N-[2-(propan-2-ylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]hexanoate
CID 156768559
6-[4-(8-chloroquinoxalin-2-yl)pyrazol-1-yl]hexan-1-amine
CID 170778147
2-[1-(4-methylphenyl)pyrazol-4-yl]quinoxaline
CID 3447283
N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine
CID 123551705
2-[3-(4-quinoxalin-2-ylpyrazol-1-yl)cyclobutyl]ethanol
CID 169092645

Frequently Asked Questions

What is the IUPAC name of 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol?
The IUPAC name of 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol (CID 166993484) is 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol.
What is the SMILES notation for 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol?
The canonical SMILES for 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol is CCCN(CCCn1cc(-c2cnc3ccccc3n2)cn1)C(C)O.
What is the InChIKey of 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol?
The InChIKey is UGPKOOARFVJXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-9-23(15(2)25)10-6-11-24-14-16(12-21-24)19-13-20-17-7-4-5-8-18(17)22-19/h4-5,7-8,12-15,25H,3,6,9-11H2,1-2H3.
What are the key properties of 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol?
1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol has a molecular weight of 339.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propyl-[3-(4-quinoxalin-2-ylpyrazol-1-yl)propyl]amino]ethanol is sourced from PubChem (CID 166993484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).