[4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride

C23H25ClN4O2 — CID 120844475

IUPAC[4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CCO1
InChIInChI=1S/C23H24N4O2.ClH/c24-13-20-16-26(10-11-28-20)14-18-15-27(19-7-2-1-3-8-19)25-23(18)22-12-17-6-4-5-9-21(17)29-22;/h1-9,12,15,20H,10-11,13-14,16,24H2;1H
InChIKeyLTYWOCGBDCMMTF-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.87
Rot. Bonds5

About [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120844475) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120844475
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name[4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CCO1
InChIInChI=1S/C23H24N4O2.ClH/c24-13-20-16-26(10-11-28-20)14-18-15-27(19-7-2-1-3-8-19)25-23(18)22-12-17-6-4-5-9-21(17)29-22;/h1-9,12,15,20H,10-11,13-14,16,24H2;1H
InChIKeyLTYWOCGBDCMMTF-UHFFFAOYSA-N
XLogP3.87
TPSA69.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

(2S)-1-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
CID 94871645
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234
4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylamino]benzenesulfonamide
CID 100708342
[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393371
2-[4-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine
CID 25476967
3-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylazaniumyl]propyl-dimethylazanium
CID 8024834
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 3413145
(Z)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 2177615
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
1-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]-4-(trifluoromethyl)azepan-4-ol
CID 126813459
1-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
CID 2371856
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride (CID 120844475) is [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride is Cl.NCC1CN(Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CCO1.
What is the InChIKey of [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is LTYWOCGBDCMMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.ClH/c24-13-20-16-26(10-11-28-20)14-18-15-27(19-7-2-1-3-8-19)25-23(18)22-12-17-6-4-5-9-21(17)29-22;/h1-9,12,15,20H,10-11,13-14,16,24H2;1H.
What are the key properties of [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 424.93 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120844475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).