2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine

C16H22ClN3 — CID 103014703

IUPAC2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCCNCC(CCc1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-3-18-12-14(13-5-4-6-15(17)11-13)7-8-16-9-10-19-20(16)2/h4-6,9-11,14,18H,3,7-8,12H2,1-2H3
InChIKeyOJCGUGQKUILIBU-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.40
Rot. Bonds7

About 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine

2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 103014703) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID103014703
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCCNCC(CCc1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-3-18-12-14(13-5-4-6-15(17)11-13)7-8-16-9-10-19-20(16)2/h4-6,9-11,14,18H,3,7-8,12H2,1-2H3
InChIKeyOJCGUGQKUILIBU-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 99824209
2-(3-chlorophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442795
2-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 103014694
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
2-(3-chlorophenyl)-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053428
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014370
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984
1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030418
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014722

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine (CID 103014703) is 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine is CCNCC(CCc1ccnn1C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is OJCGUGQKUILIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-3-18-12-14(13-5-4-6-15(17)11-13)7-8-16-9-10-19-20(16)2/h4-6,9-11,14,18H,3,7-8,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 103014703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).