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

C15H20ClN3O — CID 105164576

IUPACN-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1cnn(C)c1C
InChIInChI=1S/C15H20ClN3O/c1-5-17-15(12-9-18-19(3)10(12)2)11-6-7-13(16)14(8-11)20-4/h6-9,15,17H,5H2,1-4H3
InChIKeyZWKOUZYHPSKPDY-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.09
Rot. Bonds5

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

N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 105164576) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID105164576
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1cnn(C)c1C
InChIInChI=1S/C15H20ClN3O/c1-5-17-15(12-9-18-19(3)10(12)2)11-6-7-13(16)14(8-11)20-4/h6-9,15,17H,5H2,1-4H3
InChIKeyZWKOUZYHPSKPDY-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-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 105086489
N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176578
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105164579
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105141141
N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105164557
N-[(4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114646379
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105164507
N-[(4-chloro-3-methoxyphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82732783
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (CID 105164576) is N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1ccc(Cl)c(OC)c1)c1cnn(C)c1C.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is ZWKOUZYHPSKPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-5-17-15(12-9-18-19(3)10(12)2)11-6-7-13(16)14(8-11)20-4/h6-9,15,17H,5H2,1-4H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-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-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105164576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).