N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine

C14H19N3O — CID 43283185

IUPACN-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Oc1ccccc1
InChIInChI=1S/C14H19N3O/c1-4-15-10-13-11(2)16-17(3)14(13)18-12-8-6-5-7-9-12/h5-9,15H,4,10H2,1-3H3
InChIKeyASMBQIAHYZKVST-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.63
Rot. Bonds5

About N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine

N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine (PubChem CID 43283185) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
PubChem CID43283185
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Oc1ccccc1
InChIInChI=1S/C14H19N3O/c1-4-15-10-13-11(2)16-17(3)14(13)18-12-8-6-5-7-9-12/h5-9,15H,4,10H2,1-3H3
InChIKeyASMBQIAHYZKVST-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxybenzamide
CID 43283512
3-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide;hydrochloride
CID 51131404
N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
CID 116793112
N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43282341
N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 116802161
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43282981
(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 94821802
3-[[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methylamino]methyl]pentan-3-ol
CID 111916604
N-[[5-(2-fluoro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64855617
N-[[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63070596

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine (CID 43283185) is N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine is CCNCc1c(C)nn(C)c1Oc1ccccc1.
What is the InChIKey of N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine?
The InChIKey is ASMBQIAHYZKVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-15-10-13-11(2)16-17(3)14(13)18-12-8-6-5-7-9-12/h5-9,15H,4,10H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine?
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43283185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).