2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline

C11H10Br2ClN3 — CID 114208957

IUPAC2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2c(Br)cc(Cl)cc2Br)cn1
InChIInChI=1S/C11H10Br2ClN3/c1-17-6-7(5-16-17)4-15-11-9(12)2-8(14)3-10(11)13/h2-3,5-6,15H,4H2,1H3
InChIKeyKQPNXKBFXADZPO-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.21
Rot. Bonds3

About 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline

2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 114208957) has the molecular formula C11H10Br2ClN3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID114208957
Molecular FormulaC11H10Br2ClN3
Molecular Weight379.48 g/mol
Exact Mass376.89
IUPAC Name2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCn1cc(CNc2c(Br)cc(Cl)cc2Br)cn1
InChIInChI=1S/C11H10Br2ClN3/c1-17-6-7(5-16-17)4-15-11-9(12)2-8(14)3-10(11)13/h2-3,5-6,15H,4H2,1H3
InChIKeyKQPNXKBFXADZPO-UHFFFAOYSA-N
XLogP4.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 114209108
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115773970
2,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600263
2,6-dichloro-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103952611
3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 114836017
2,4,6-tribromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126001
3-amino-2-bromo-5-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 62956906
5-chloro-2,4-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600349
4-bromo-5-fluoro-2-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 116735599
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 155403307
2-chloro-5-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 113334227

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 114208957) is 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline is Cn1cc(CNc2c(Br)cc(Cl)cc2Br)cn1.
What is the InChIKey of 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is KQPNXKBFXADZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2ClN3/c1-17-6-7(5-16-17)4-15-11-9(12)2-8(14)3-10(11)13/h2-3,5-6,15H,4H2,1H3.
What are the key properties of 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline?
2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 379.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 114208957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).