N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

C15H20ClN3 — CID 115816038

IUPACN-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1cccc(C)c1Cl
InChIInChI=1S/C15H20ClN3/c1-4-17-15(12-9-18-19(5-2)10-12)13-8-6-7-11(3)14(13)16/h6-10,15,17H,4-5H2,1-3H3
InChIKeyACUPOOOECRTKIT-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.56
Rot. Bonds5

About N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115816038) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID115816038
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1cccc(C)c1Cl
InChIInChI=1S/C15H20ClN3/c1-4-17-15(12-9-18-19(5-2)10-12)13-8-6-7-11(3)14(13)16/h6-10,15,17H,4-5H2,1-3H3
InChIKeyACUPOOOECRTKIT-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-2-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816300
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538
N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006456
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
N-[(1-ethylpyrazol-4-yl)-quinolin-5-ylmethyl]ethanamine
CID 105108998
[(2,3-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289722
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[(2-chloro-3-methylphenyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 115804806
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115792936
N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105109075
N-[(2-bromo-5-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815855
N-[(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815982

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 115816038) is N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(CC)c1)c1cccc(C)c1Cl.
What is the InChIKey of N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is ACUPOOOECRTKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-17-15(12-9-18-19(5-2)10-12)13-8-6-7-11(3)14(13)16/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115816038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).