2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine

C24H38N4O3 — CID 86895599

IUPAC2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOc1ccc(C(C)(C)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1OC
InChIInChI=1S/C24H38N4O3/c1-17(2)22-19(23(27(5)26-22)28-10-12-31-13-11-28)15-25-16-24(3,4)18-8-9-20(29-6)21(14-18)30-7/h8-9,14,17,25H,10-13,15-16H2,1-7H3
InChIKeyUCERVGCBUUKXCX-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.46
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine

2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 86895599) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID86895599
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOc1ccc(C(C)(C)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1OC
InChIInChI=1S/C24H38N4O3/c1-17(2)22-19(23(27(5)26-22)28-10-12-31-13-11-28)15-25-16-24(3,4)18-8-9-20(29-6)21(14-18)30-7/h8-9,14,17,25H,10-13,15-16H2,1-7H3
InChIKeyUCERVGCBUUKXCX-UHFFFAOYSA-N
XLogP3.46
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 51104664
1-[4-(2-methoxyethoxy)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 86884947
3-methyl-1-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-2-ol
CID 111421990
4-methyl-5-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111448755
1-[[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114620
1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 86884985
2-(benzenesulfonyl)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 86884963
2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51104825
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
(1S)-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 95143525
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 86884903
1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]methanamine
CID 86884978

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine (CID 86895599) is 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine is COc1ccc(C(C)(C)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is UCERVGCBUUKXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-17(2)22-19(23(27(5)26-22)28-10-12-31-13-11-28)15-25-16-24(3,4)18-8-9-20(29-6)21(14-18)30-7/h8-9,14,17,25H,10-13,15-16H2,1-7H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 430.59 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 86895599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).