N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

C15H20ClN3O — CID 105140922

IUPACN-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1cc(C)nn1C
InChIInChI=1S/C15H20ClN3O/c1-5-17-15(13-8-10(2)18-19(13)3)12-9-11(16)6-7-14(12)20-4/h6-9,15,17H,5H2,1-4H3
InChIKeyYICPFUNUPIOCBM-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.09
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 105140922) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
PubChem CID105140922
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1OC)c1cc(C)nn1C
InChIInChI=1S/C15H20ClN3O/c1-5-17-15(13-8-10(2)18-19(13)3)12-9-11(16)6-7-14(12)20-4/h6-9,15,17H,5H2,1-4H3
InChIKeyYICPFUNUPIOCBM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495
N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
N-[(5-chloro-2-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105140902
N-[(5-chloro-2-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 82901739
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
N-[(2,6-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105188698
N-[(2,5-dimethylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146439
N-[(5-chloro-2-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854831
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(5-chloro-2-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492434
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (CID 105140922) is N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1OC)c1cc(C)nn1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is YICPFUNUPIOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-5-17-15(13-8-10(2)18-19(13)3)12-9-11(16)6-7-14(12)20-4/h6-9,15,17H,5H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 293.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105140922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).