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

C20H31ClN4O — CID 51131348

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride
SMILESCc1ccccc1CC(C)NCc1c(C)nn(C)c1N1CCOCC1.Cl
InChIInChI=1S/C20H30N4O.ClH/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;1H
InChIKeyTZIQCRPDUGOSOB-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.02
Rot. Bonds6

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

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride (PubChem CID 51131348) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride
PubChem CID51131348
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride
SMILESCc1ccccc1CC(C)NCc1c(C)nn(C)c1N1CCOCC1.Cl
InChIInChI=1S/C20H30N4O.ClH/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;1H
InChIKeyTZIQCRPDUGOSOB-UHFFFAOYSA-N
XLogP3.02
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.02
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;hydrochloride?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride (CID 51131348) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride is Cc1ccccc1CC(C)NCc1c(C)nn(C)c1N1CCOCC1.Cl.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride?
The InChIKey is TZIQCRPDUGOSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.ClH/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;1H.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)propan-2-amine;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 3.02, 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;hydrochloride is sourced from PubChem (CID 51131348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).