N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine

C11H11BrFN3 — CID 79779591

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C11H11BrFN3/c1-16-3-2-11(15-16)14-7-8-4-9(12)6-10(13)5-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyIXWAMZFCJUZVTC-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.93
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine

N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 79779591) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine
PubChem CID79779591
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C11H11BrFN3/c1-16-3-2-11(15-16)14-7-8-4-9(12)6-10(13)5-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyIXWAMZFCJUZVTC-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 60809796
N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine
CID 165343641
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
N-[(4-iodophenyl)methyl]-1-methylpyrazol-3-amine
CID 79778850
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylpyrazol-3-amine
CID 54921374
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylaniline
CID 79710755
N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
CID 60808995
1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
CID 139295160
N-[(5-amino-2-bromophenyl)methyl]-1-methylpyrazol-3-amine
CID 103568674
N-[(3-bromo-5-fluorophenyl)methyl]-3-fluoroaniline
CID 79710160
N-[(3-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 79710749
N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126964997

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine (CID 79779591) is N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine is Cn1ccc(NCc2cc(F)cc(Br)c2)n1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is IXWAMZFCJUZVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-16-3-2-11(15-16)14-7-8-4-9(12)6-10(13)5-8/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 284.13 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 79779591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).