2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline

C14H17BrClN3 — CID 82757818

IUPAC2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline
SMILESCCc1nn(C)c(CNc2cc(C)ccc2Br)c1Cl
InChIInChI=1S/C14H17BrClN3/c1-4-11-14(16)13(19(3)18-11)8-17-12-7-9(2)5-6-10(12)15/h5-7,17H,4,8H2,1-3H3
InChIKeyPWULIGZOJYBXNE-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.32
Rot. Bonds4

About 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline

2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline (PubChem CID 82757818) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline
PubChem CID82757818
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline
SMILESCCc1nn(C)c(CNc2cc(C)ccc2Br)c1Cl
InChIInChI=1S/C14H17BrClN3/c1-4-11-14(16)13(19(3)18-11)8-17-12-7-9(2)5-6-10(12)15/h5-7,17H,4,8H2,1-3H3
InChIKeyPWULIGZOJYBXNE-UHFFFAOYSA-N
XLogP4.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]benzonitrile
CID 107807730
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-5-fluorobenzonitrile
CID 82016193
1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377560
2-bromo-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 82757287
2-bromo-N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-chloroaniline
CID 103478941
2-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-5-methylaniline
CID 114076624
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 82761508
1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
CID 114493488
3-bromo-4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]benzonitrile
CID 107789985
2-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 82761087
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline (CID 82757818) is 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline is CCc1nn(C)c(CNc2cc(C)ccc2Br)c1Cl.
What is the InChIKey of 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline?
The InChIKey is PWULIGZOJYBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-4-11-14(16)13(19(3)18-11)8-17-12-7-9(2)5-6-10(12)15/h5-7,17H,4,8H2,1-3H3.
What are the key properties of 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline?
2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline has a molecular weight of 342.67 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methylaniline is sourced from PubChem (CID 82757818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).