3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride

C17H25ClN4O2 — CID 51131404

IUPAC3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride
SMILESCc1nn(C)c(Oc2ccccc2)c1CNCCC(=O)N(C)C.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-13-15(12-18-11-10-16(22)20(2)3)17(21(4)19-13)23-14-8-6-5-7-9-14;/h5-9,18H,10-12H2,1-4H3;1H
InChIKeyCONHWBDGZIWSTE-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.51
Rot. Bonds7

About 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride

3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride (PubChem CID 51131404) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride
PubChem CID51131404
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride
SMILESCc1nn(C)c(Oc2ccccc2)c1CNCCC(=O)N(C)C.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-13-15(12-18-11-10-16(22)20(2)3)17(21(4)19-13)23-14-8-6-5-7-9-14;/h5-9,18H,10-12H2,1-4H3;1H
InChIKeyCONHWBDGZIWSTE-UHFFFAOYSA-N
XLogP2.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 94821802
4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
CID 43283512
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43282981
N-[[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63072327
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
N-[[5-(2-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43479834
CID 11028273
CID 11028273
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
CID 115584824
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 115600773

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride (CID 51131404) is 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride is Cc1nn(C)c(Oc2ccccc2)c1CNCCC(=O)N(C)C.Cl.
What is the InChIKey of 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride?
The InChIKey is CONHWBDGZIWSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-13-15(12-18-11-10-16(22)20(2)3)17(21(4)19-13)23-14-8-6-5-7-9-14;/h5-9,18H,10-12H2,1-4H3;1H.
What are the key properties of 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride?
3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 51131404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).