N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine

C19H28N4O — CID 45225828

IUPACN,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine
SMILESCN(C)CCC1CN(Cc2ccc(Cn3cccn3)cc2)CCO1
InChIInChI=1S/C19H28N4O/c1-21(2)11-8-19-16-22(12-13-24-19)14-17-4-6-18(7-5-17)15-23-10-3-9-20-23/h3-7,9-10,19H,8,11-16H2,1-2H3
InChIKeySLCMSJPCLSUTCX-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.08
Rot. Bonds7

About N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine

N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine (PubChem CID 45225828) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine
PubChem CID45225828
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine
SMILESCN(C)CCC1CN(Cc2ccc(Cn3cccn3)cc2)CCO1
InChIInChI=1S/C19H28N4O/c1-21(2)11-8-19-16-22(12-13-24-19)14-17-4-6-18(7-5-17)15-23-10-3-9-20-23/h3-7,9-10,19H,8,11-16H2,1-2H3
InChIKeySLCMSJPCLSUTCX-UHFFFAOYSA-N
XLogP2.08
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine (CID 45225828) is N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine is CN(C)CCC1CN(Cc2ccc(Cn3cccn3)cc2)CCO1.
What is the InChIKey of N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine?
The InChIKey is SLCMSJPCLSUTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-21(2)11-8-19-16-22(12-13-24-19)14-17-4-6-18(7-5-17)15-23-10-3-9-20-23/h3-7,9-10,19H,8,11-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine?
N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine has a molecular weight of 328.46 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 45225828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).