2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide

C17H24N4O2 — CID 56718302

IUPAC2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(-n2cccn2)c(CN(C)C(C)C(=O)N(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-13(17(22)19(2)3)20(4)12-14-11-15(23-5)7-8-16(14)21-10-6-9-18-21/h6-11,13H,12H2,1-5H3
InChIKeyFUOPFTHHIYBWHQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.79
Rot. Bonds6

About 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide

2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 56718302) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide
PubChem CID56718302
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(-n2cccn2)c(CN(C)C(C)C(=O)N(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-13(17(22)19(2)3)20(4)12-14-11-15(23-5)7-8-16(14)21-10-6-9-18-21/h6-11,13H,12H2,1-5H3
InChIKeyFUOPFTHHIYBWHQ-UHFFFAOYSA-N
XLogP1.79
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 8925163
N-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 91763516
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
(3S,4R)-4-[ethyl-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]amino]oxolan-3-ol
CID 133122718
1-(2-tert-butyl-4-methoxyphenyl)pyrazole
CID 160761915
(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95126134
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
4-methoxy-2-pyrazol-1-ylaniline
CID 16744027
4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95220563
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide (CID 56718302) is 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide is COc1ccc(-n2cccn2)c(CN(C)C(C)C(=O)N(C)C)c1.
What is the InChIKey of 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is FUOPFTHHIYBWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(17(22)19(2)3)20(4)12-14-11-15(23-5)7-8-16(14)21-10-6-9-18-21/h6-11,13H,12H2,1-5H3.
What are the key properties of 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 316.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 56718302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).