N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

C19H30N4O — CID 51104816

IUPACN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOc1c(CNC(CN(C)C)c2ccccc2)c(C(C)C)nn1C
InChIInChI=1S/C19H30N4O/c1-14(2)18-16(19(24-6)23(5)21-18)12-20-17(13-22(3)4)15-10-8-7-9-11-15/h7-11,14,17,20H,12-13H2,1-6H3
InChIKeyXPAGPEMCSLCKMC-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.94
Rot. Bonds8

About N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 51104816) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID51104816
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCOc1c(CNC(CN(C)C)c2ccccc2)c(C(C)C)nn1C
InChIInChI=1S/C19H30N4O/c1-14(2)18-16(19(24-6)23(5)21-18)12-20-17(13-22(3)4)15-10-8-7-9-11-15/h7-11,14,17,20H,12-13H2,1-6H3
InChIKeyXPAGPEMCSLCKMC-UHFFFAOYSA-N
XLogP2.94
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 51104816) is N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is COc1c(CNC(CN(C)C)c2ccccc2)c(C(C)C)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is XPAGPEMCSLCKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14(2)18-16(19(24-6)23(5)21-18)12-20-17(13-22(3)4)15-10-8-7-9-11-15/h7-11,14,17,20H,12-13H2,1-6H3.
What are the key properties of N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 330.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 51104816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).