N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

C15H20ClN3O — CID 43282341

IUPACN-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C15H20ClN3O/c1-5-17-9-13-11(3)18-19(4)15(13)20-12-6-7-14(16)10(2)8-12/h6-8,17H,5,9H2,1-4H3
InChIKeyPNMLSYCISXPVPZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.59
Rot. Bonds5

About N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 43282341) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID43282341
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C15H20ClN3O/c1-5-17-9-13-11(3)18-19(4)15(13)20-12-6-7-14(16)10(2)8-12/h6-8,17H,5,9H2,1-4H3
InChIKeyPNMLSYCISXPVPZ-UHFFFAOYSA-N
XLogP3.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
2-[4-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]ethanol
CID 107709326
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-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 60999932
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 28951562
N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
CID 116793112
N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283039
N-[[5-(1-ethylpyrazol-4-yl)oxy-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 116802161
N-[[5-(2-fluoro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64855617

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (CID 43282341) is N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1Oc1ccc(Cl)c(C)c1.
What is the InChIKey of N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is PNMLSYCISXPVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-5-17-9-13-11(3)18-19(4)15(13)20-12-6-7-14(16)10(2)8-12/h6-8,17H,5,9H2,1-4H3.
What are the key properties of N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 293.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 43282341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).