N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine

C11H10BrF2N3 — CID 106263562

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2c(F)ccc(Br)c2F)cn1
InChIInChI=1S/C11H10BrF2N3/c1-17-6-7(4-16-17)15-5-8-10(13)3-2-9(12)11(8)14/h2-4,6,15H,5H2,1H3
InChIKeyMSABMWUKNOWLPH-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.07
Rot. Bonds3

About N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine

N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 106263562) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine
PubChem CID106263562
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2c(F)ccc(Br)c2F)cn1
InChIInChI=1S/C11H10BrF2N3/c1-17-6-7(4-16-17)15-5-8-10(13)3-2-9(12)11(8)14/h2-4,6,15H,5H2,1H3
InChIKeyMSABMWUKNOWLPH-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
N-[(3-bromo-2,6-difluorophenyl)methyl]-3,5-dichloroaniline
CID 106263110
N-[(2-bromo-4-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 115556752
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 106263665
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 106263207
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
CID 130949120
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylpyrazol-4-amine
CID 43534717
2,4-difluoro-3-[[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 90031109
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
CID 106263172
2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
CID 106263661
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776617
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine (CID 106263562) is N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2c(F)ccc(Br)c2F)cn1.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is MSABMWUKNOWLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3/c1-17-6-7(4-16-17)15-5-8-10(13)3-2-9(12)11(8)14/h2-4,6,15H,5H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 302.12 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 106263562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).