N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

C15H20ClN3 — CID 107561717

IUPACN-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1cc(C)nn1C
InChIInChI=1S/C15H20ClN3/c1-5-17-15(14-8-11(3)18-19(14)4)12-7-6-10(2)13(16)9-12/h6-9,15,17H,5H2,1-4H3
InChIKeyHRDZGSVAFLAWQK-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.39
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine

N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 107561717) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
PubChem CID107561717
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1cc(C)nn1C
InChIInChI=1S/C15H20ClN3/c1-5-17-15(14-8-11(3)18-19(14)4)12-7-6-10(2)13(16)9-12/h6-9,15,17H,5H2,1-4H3
InChIKeyHRDZGSVAFLAWQK-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 107561653
N-[(3-chloro-4-methylphenyl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 107560646
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144407
(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methanol
CID 107562168
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142391
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105180121
N-[(3-chloro-4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115808119
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine (CID 107561717) is N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccc(C)c(Cl)c1)c1cc(C)nn1C.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is HRDZGSVAFLAWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-5-17-15(14-8-11(3)18-19(14)4)12-7-6-10(2)13(16)9-12/h6-9,15,17H,5H2,1-4H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107561717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).