4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride

C20H26ClN5O — CID 171667674

IUPAC4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride
SMILESCc1ccc(-n2cc(-c3cncn3C(C)CN3CCOCC3)cn2)cc1.Cl
InChIInChI=1S/C20H25N5O.ClH/c1-16-3-5-19(6-4-16)25-14-18(11-22-25)20-12-21-15-24(20)17(2)13-23-7-9-26-10-8-23;/h3-6,11-12,14-15,17H,7-10,13H2,1-2H3;1H
InChIKeyDEDMGLUNEQAERP-UHFFFAOYSA-N
MW387.92 g/mol
LogP3.36
Rot. Bonds5

About 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride

4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride (PubChem CID 171667674) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride
PubChem CID171667674
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride
SMILESCc1ccc(-n2cc(-c3cncn3C(C)CN3CCOCC3)cn2)cc1.Cl
InChIInChI=1S/C20H25N5O.ClH/c1-16-3-5-19(6-4-16)25-14-18(11-22-25)20-12-21-15-24(20)17(2)13-23-7-9-26-10-8-23;/h3-6,11-12,14-15,17H,7-10,13H2,1-2H3;1H
InChIKeyDEDMGLUNEQAERP-UHFFFAOYSA-N
XLogP3.36
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 46980375
4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine
CID 92628553
4-[2-[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]propyl]morpholine;hydrochloride
CID 171667753
5-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114719365
4-[(2R)-2-[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]propyl]morpholine
CID 92628912
3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
CID 114705044
2-methyl-N-[[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66150505
4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
CID 114719163
1,4-bis(4-methylphenyl)pyrazole;methanamine
CID 153378123
4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride
CID 118741788
[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride (CID 171667674) is 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride is Cc1ccc(-n2cc(-c3cncn3C(C)CN3CCOCC3)cn2)cc1.Cl.
What is the InChIKey of 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride?
The InChIKey is DEDMGLUNEQAERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O.ClH/c1-16-3-5-19(6-4-16)25-14-18(11-22-25)20-12-21-15-24(20)17(2)13-23-7-9-26-10-8-23;/h3-6,11-12,14-15,17H,7-10,13H2,1-2H3;1H.
What are the key properties of 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride?
4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride has a molecular weight of 387.92 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride is sourced from PubChem (CID 171667674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).