N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine

C20H27N7O — CID 86887647

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(Cn1cncn1)c1ccccc1
InChIInChI=1S/C20H27N7O/c1-16-18(20(25(2)24-16)26-8-10-28-11-9-26)12-22-19(13-27-15-21-14-23-27)17-6-4-3-5-7-17/h3-7,14-15,19,22H,8-13H2,1-2H3
InChIKeyDMXIZUBVDPPVRS-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.69
Rot. Bonds7

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine (PubChem CID 86887647) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine
PubChem CID86887647
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC(Cn1cncn1)c1ccccc1
InChIInChI=1S/C20H27N7O/c1-16-18(20(25(2)24-16)26-8-10-28-11-9-26)12-22-19(13-27-15-21-14-23-27)17-6-4-3-5-7-17/h3-7,14-15,19,22H,8-13H2,1-2H3
InChIKeyDMXIZUBVDPPVRS-UHFFFAOYSA-N
XLogP1.69
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine (CID 86887647) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine is Cc1nn(C)c(N2CCOCC2)c1CNC(Cn1cncn1)c1ccccc1.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine?
The InChIKey is DMXIZUBVDPPVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-16-18(20(25(2)24-16)26-8-10-28-11-9-26)12-22-19(13-27-15-21-14-23-27)17-6-4-3-5-7-17/h3-7,14-15,19,22H,8-13H2,1-2H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine has a molecular weight of 381.48 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-phenyl-2-(1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 86887647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).