N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine

C25H31FN4O2 — CID 45228187

IUPACN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCN2CCOCC2)cc1F
InChIInChI=1S/C25H31FN4O2/c1-19-6-4-5-7-23(19)30-18-21(17-28(2)10-11-29-12-14-32-15-13-29)25(27-30)20-8-9-24(31-3)22(26)16-20/h4-9,16,18H,10-15,17H2,1-3H3
InChIKeyCOQDMVANMGVCRH-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.76
Rot. Bonds8

About N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine

N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine (PubChem CID 45228187) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
PubChem CID45228187
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC NameN-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCN2CCOCC2)cc1F
InChIInChI=1S/C25H31FN4O2/c1-19-6-4-5-7-23(19)30-18-21(17-28(2)10-11-29-12-14-32-15-13-29)25(27-30)20-8-9-24(31-3)22(26)16-20/h4-9,16,18H,10-15,17H2,1-3H3
InChIKeyCOQDMVANMGVCRH-UHFFFAOYSA-N
XLogP3.76
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine (CID 45228187) is N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine is COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)CCN2CCOCC2)cc1F.
What is the InChIKey of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
The InChIKey is COQDMVANMGVCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-19-6-4-5-7-23(19)30-18-21(17-28(2)10-11-29-12-14-32-15-13-29)25(27-30)20-8-9-24(31-3)22(26)16-20/h4-9,16,18H,10-15,17H2,1-3H3.
What are the key properties of N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine?
N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 438.55 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 45228187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).