N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

C19H28N4O2 — CID 51105099

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2c(C)nn(C)c2N2CCOCC2)c1
InChIInChI=1S/C19H28N4O2/c1-15-18(19(22(2)21-15)23-7-9-25-10-8-23)13-20-12-16-5-4-6-17(11-16)14-24-3/h4-6,11,20H,7-10,12-14H2,1-3H3
InChIKeyGIOOXXOZYJXTDA-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.00
Rot. Bonds7

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 51105099) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID51105099
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCOCc1cccc(CNCc2c(C)nn(C)c2N2CCOCC2)c1
InChIInChI=1S/C19H28N4O2/c1-15-18(19(22(2)21-15)23-7-9-25-10-8-23)13-20-12-16-5-4-6-17(11-16)14-24-3/h4-6,11,20H,7-10,12-14H2,1-3H3
InChIKeyGIOOXXOZYJXTDA-UHFFFAOYSA-N
XLogP2.00
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (CID 51105099) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is COCc1cccc(CNCc2c(C)nn(C)c2N2CCOCC2)c1.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is GIOOXXOZYJXTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-18(19(22(2)21-15)23-7-9-25-10-8-23)13-20-12-16-5-4-6-17(11-16)14-24-3/h4-6,11,20H,7-10,12-14H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 344.46 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 51105099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).