2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine

C15H28ClN3 — CID 83139300

IUPAC2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNCC(Cc1c(Cl)c(CC)nn1C)C(C)(C)C
InChIInChI=1S/C15H28ClN3/c1-7-12-14(16)13(19(6)18-12)9-11(10-17-8-2)15(3,4)5/h11,17H,7-10H2,1-6H3
InChIKeyLJJUEJLXJDGTBH-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.45
Rot. Bonds6

About 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine

2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 83139300) has the molecular formula C15H28ClN3 and a molecular weight of 285.86 g/mol. Its IUPAC name is 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID83139300
Molecular FormulaC15H28ClN3
Molecular Weight285.86 g/mol
Exact Mass285.20
IUPAC Name2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNCC(Cc1c(Cl)c(CC)nn1C)C(C)(C)C
InChIInChI=1S/C15H28ClN3/c1-7-12-14(16)13(19(6)18-12)9-11(10-17-8-2)15(3,4)5/h11,17H,7-10H2,1-6H3
InChIKeyLJJUEJLXJDGTBH-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[2-(chloromethyl)-3,3-dimethylbutyl]-3-ethyl-1-methylpyrazole
CID 83143178
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83139494
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105159793
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79047030
4-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015475
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047262
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562690
4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 81012559
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylhexan-2-amine
CID 104998438
4-chloro-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine (CID 83139300) is 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine is CCNCC(Cc1c(Cl)c(CC)nn1C)C(C)(C)C.
What is the InChIKey of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is LJJUEJLXJDGTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3/c1-7-12-14(16)13(19(6)18-12)9-11(10-17-8-2)15(3,4)5/h11,17H,7-10H2,1-6H3.
What are the key properties of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 285.86 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83139300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).