N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine

C20H30N4O — CID 51131349

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCc1c(C)nn(C)c1N1CCOCC1
InChIInChI=1S/C20H30N4O/c1-15-7-5-6-8-18(15)13-16(2)21-14-19-17(3)22-23(4)20(19)24-9-11-25-12-10-24/h5-8,16,21H,9-14H2,1-4H3
InChIKeyOLPRGNDWCBZECB-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.59
Rot. Bonds6

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 51131349) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID51131349
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCc1c(C)nn(C)c1N1CCOCC1
InChIInChI=1S/C20H30N4O/c1-15-7-5-6-8-18(15)13-16(2)21-14-19-17(3)22-23(4)20(19)24-9-11-25-12-10-24/h5-8,16,21H,9-14H2,1-4H3
InChIKeyOLPRGNDWCBZECB-UHFFFAOYSA-N
XLogP2.59
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine (CID 51131349) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NCc1c(C)nn(C)c1N1CCOCC1.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is OLPRGNDWCBZECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15-7-5-6-8-18(15)13-16(2)21-14-19-17(3)22-23(4)20(19)24-9-11-25-12-10-24/h5-8,16,21H,9-14H2,1-4H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 342.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 51131349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).