2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine

C16H22ClN3 — CID 63975748

IUPAC2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(Cc1ccccc1Cl)NCC
InChIInChI=1S/C16H22ClN3/c1-3-11-20-16(9-10-19-20)15(18-4-2)12-13-7-5-6-8-14(13)17/h5-10,15,18H,3-4,11-12H2,1-2H3
InChIKeyLJUKZKNLKQRYTB-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.84
Rot. Bonds7

About 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine

2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 63975748) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID63975748
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(Cc1ccccc1Cl)NCC
InChIInChI=1S/C16H22ClN3/c1-3-11-20-16(9-10-19-20)15(18-4-2)12-13-7-5-6-8-14(13)17/h5-10,15,18H,3-4,11-12H2,1-2H3
InChIKeyLJUKZKNLKQRYTB-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857601
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63977027
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974493
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine (CID 63975748) is 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(Cc1ccccc1Cl)NCC.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is LJUKZKNLKQRYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-11-20-16(9-10-19-20)15(18-4-2)12-13-7-5-6-8-14(13)17/h5-10,15,18H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine?
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 291.83 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63975748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).