N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine

C13H15BrFN3 — CID 103909034

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccc(F)cc1Br
InChIInChI=1S/C13H15BrFN3/c1-3-12-13(8-18(2)17-12)16-7-9-4-5-10(15)6-11(9)14/h4-6,8,16H,3,7H2,1-2H3
InChIKeyQYXQLRGNPMUCIL-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.50
Rot. Bonds4

About N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine

N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 103909034) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
PubChem CID103909034
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NCc1ccc(F)cc1Br
InChIInChI=1S/C13H15BrFN3/c1-3-12-13(8-18(2)17-12)16-7-9-4-5-10(15)6-11(9)14/h4-6,8,16H,3,7H2,1-2H3
InChIKeyQYXQLRGNPMUCIL-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909085
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 112668229
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
2,5-dibromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668885
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-2-methylaniline
CID 103271245
N-[(2-chlorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909171
N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462425
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114060527
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylsulfanylaniline
CID 103610599
N-[[4-(difluoromethyl)phenyl]methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 107462384
4-bromo-2,3-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 107788039

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine (CID 103909034) is N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)cc1NCc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is QYXQLRGNPMUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-3-12-13(8-18(2)17-12)16-7-9-4-5-10(15)6-11(9)14/h4-6,8,16H,3,7H2,1-2H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 312.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 103909034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).