1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine

C16H22ClN3 — CID 105001648

IUPAC1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccc(Cl)c(C)c2)n(CC)n1
InChIInChI=1S/C16H22ClN3/c1-4-13-9-14(20(5-2)19-13)10-16(18)12-6-7-15(17)11(3)8-12/h6-9,16H,4-5,10,18H2,1-3H3
InChIKeyPVCNQIFQOOMQEM-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine

1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine (PubChem CID 105001648) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
PubChem CID105001648
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccc(Cl)c(C)c2)n(CC)n1
InChIInChI=1S/C16H22ClN3/c1-4-13-9-14(20(5-2)19-13)10-16(18)12-6-7-15(17)11(3)8-12/h6-9,16H,4-5,10,18H2,1-3H3
InChIKeyPVCNQIFQOOMQEM-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
1-(4-bromo-3-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002755
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105001631
2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105001763
1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001602
2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105001646
[1-(3-chloro-4-fluorophenyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
CID 105218225
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
5-[3-bromo-2-(4-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 79435546
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 105034993
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine (CID 105001648) is 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine is CCc1cc(CC(N)c2ccc(Cl)c(C)c2)n(CC)n1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine?
The InChIKey is PVCNQIFQOOMQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-13-9-14(20(5-2)19-13)10-16(18)12-6-7-15(17)11(3)8-12/h6-9,16H,4-5,10,18H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine?
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine has a molecular weight of 291.83 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 105001648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).