N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine

C24H31N5O — CID 46953709

IUPACN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1cc(C)c(-n2cccn2)c(CN(CCN2CCOCC2)Cc2cccnc2)c1
InChIInChI=1S/C24H31N5O/c1-20-15-21(2)24(29-8-4-7-26-29)23(16-20)19-28(18-22-5-3-6-25-17-22)10-9-27-11-13-30-14-12-27/h3-8,15-17H,9-14,18-19H2,1-2H3
InChIKeyCAQCMGLDLKUZCY-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.22
Rot. Bonds8

About N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine

N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 46953709) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID46953709
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1cc(C)c(-n2cccn2)c(CN(CCN2CCOCC2)Cc2cccnc2)c1
InChIInChI=1S/C24H31N5O/c1-20-15-21(2)24(29-8-4-7-26-29)23(16-20)19-28(18-22-5-3-6-25-17-22)10-9-27-11-13-30-14-12-27/h3-8,15-17H,9-14,18-19H2,1-2H3
InChIKeyCAQCMGLDLKUZCY-UHFFFAOYSA-N
XLogP3.22
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine (CID 46953709) is N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine is Cc1cc(C)c(-n2cccn2)c(CN(CCN2CCOCC2)Cc2cccnc2)c1.
What is the InChIKey of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is CAQCMGLDLKUZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-20-15-21(2)24(29-8-4-7-26-29)23(16-20)19-28(18-22-5-3-6-25-17-22)10-9-27-11-13-30-14-12-27/h3-8,15-17H,9-14,18-19H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine?
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 405.55 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 46953709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).