2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine

C16H22ClN3 — CID 79449422

IUPAC2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(C)nn1C)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3/c1-4-18-11-13(15-7-5-6-8-16(15)17)10-14-9-12(2)19-20(14)3/h5-9,13,18H,4,10-11H2,1-3H3
InChIKeyLKIARFCIJWJHIC-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.32
Rot. Bonds6

About 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine

2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine (PubChem CID 79449422) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
PubChem CID79449422
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(C)nn1C)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3/c1-4-18-11-13(15-7-5-6-8-16(15)17)10-14-9-12(2)19-20(14)3/h5-9,13,18H,4,10-11H2,1-3H3
InChIKeyLKIARFCIJWJHIC-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-bromo-2-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 79454162
2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79448466
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79417456
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
5-[3-chloro-2-(2-methylphenyl)propyl]-1,3-dimethylpyrazole
CID 79418354
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
1-(3-chloro-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 107102582
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
5-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-1,3-dimethylpyrazole
CID 66050349

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine (CID 79449422) is 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine is CCNCC(Cc1cc(C)nn1C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine?
The InChIKey is LKIARFCIJWJHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-18-11-13(15-7-5-6-8-16(15)17)10-14-9-12(2)19-20(14)3/h5-9,13,18H,4,10-11H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine?
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79449422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).