1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone

C15H19N3O — CID 84615201

IUPAC1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
SMILESCCNCc1cn(-c2ccc(C(C)=O)cc2)nc1C
InChIInChI=1S/C15H19N3O/c1-4-16-9-14-10-18(17-11(14)2)15-7-5-13(6-8-15)12(3)19/h5-8,10,16H,4,9H2,1-3H3
InChIKeySHYAMVMHWFNBRA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.49
Rot. Bonds5

About 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone

1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone (PubChem CID 84615201) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
PubChem CID84615201
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
SMILESCCNCc1cn(-c2ccc(C(C)=O)cc2)nc1C
InChIInChI=1S/C15H19N3O/c1-4-16-9-14-10-18(17-11(14)2)15-7-5-13(6-8-15)12(3)19/h5-8,10,16H,4,9H2,1-3H3
InChIKeySHYAMVMHWFNBRA-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(bromomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
CID 84617721
N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84615216
N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84615292
N-[[3-methyl-1-(3-nitrophenyl)pyrazol-4-yl]methyl]ethanamine
CID 84615276
4-[[1-(4-bromophenyl)-3-methylpyrazol-4-yl]methylamino]-2,2-dimethylbutanoic acid
CID 122127105
N,N-diethyl-4-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]aniline
CID 84615113
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84617889
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987
3-[3-methyl-4-(methylaminomethyl)pyrazol-1-yl]benzoic acid
CID 84615132
2-[[1-(4-bromophenyl)-3-methylpyrazol-4-yl]methylamino]hexanoic acid
CID 120510270
4-methyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 120510085
(2S)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]-3-phenylpropanoic acid
CID 99779368

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone (CID 84615201) is 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone is CCNCc1cn(-c2ccc(C(C)=O)cc2)nc1C.
What is the InChIKey of 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone?
The InChIKey is SHYAMVMHWFNBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-16-9-14-10-18(17-11(14)2)15-7-5-13(6-8-15)12(3)19/h5-8,10,16H,4,9H2,1-3H3.
What are the key properties of 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone?
1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 84615201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).