N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine

C21H33N5O2 — CID 126810967

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CN(C)C)NCc2c(C)nn(C)c2N2CCOCC2)cc1
InChIInChI=1S/C21H33N5O2/c1-16-19(21(25(4)23-16)26-10-12-28-13-11-26)14-22-20(15-24(2)3)17-6-8-18(27-5)9-7-17/h6-9,20,22H,10-15H2,1-5H3
InChIKeyUDIJLVXOHAASII-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.97
Rot. Bonds8

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 126810967) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID126810967
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CN(C)C)NCc2c(C)nn(C)c2N2CCOCC2)cc1
InChIInChI=1S/C21H33N5O2/c1-16-19(21(25(4)23-16)26-10-12-28-13-11-26)14-22-20(15-24(2)3)17-6-8-18(27-5)9-7-17/h6-9,20,22H,10-15H2,1-5H3
InChIKeyUDIJLVXOHAASII-UHFFFAOYSA-N
XLogP1.97
TPSA54.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-bromophenyl)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 86884827
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CID 86887647
(2R)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-2-phenylacetamide
CID 95138985
(1S)-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 94825212
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-morpholin-4-ylphenyl)ethanamine
CID 94816988
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 62407467
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 55134728
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 51131289
methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate
CID 170883513
2-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-5-N,5-N-dimethylpyridine-2,5-diamine
CID 154738210
2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129000
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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine (CID 126810967) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine is COc1ccc(C(CN(C)C)NCc2c(C)nn(C)c2N2CCOCC2)cc1.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UDIJLVXOHAASII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-16-19(21(25(4)23-16)26-10-12-28-13-11-26)14-22-20(15-24(2)3)17-6-8-18(27-5)9-7-17/h6-9,20,22H,10-15H2,1-5H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 387.53 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 126810967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).