N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

C13H15ClFN3 — CID 28664744

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-8-13(9(2)18(3)17-8)16-7-10-11(14)5-4-6-12(10)15/h4-6,16H,7H2,1-3H3
InChIKeyXVENSIRNLREBNO-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.44
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 28664744) has the molecular formula C13H15ClFN3 and a molecular weight of 267.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID28664744
Molecular FormulaC13H15ClFN3
Molecular Weight267.73 g/mol
Exact Mass267.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFN3/c1-8-13(9(2)18(3)17-8)16-7-10-11(14)5-4-6-12(10)15/h4-6,16H,7H2,1-3H3
InChIKeyXVENSIRNLREBNO-UHFFFAOYSA-N
XLogP3.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chloro-6-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105289114
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 1251687
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
2-chloro-4,6-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 82889594
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-4,6-difluoroaniline
CID 83082114
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 28950569
4-[(2-chloro-6-fluorophenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624725
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105216057
N-[(2-chloro-6-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054634
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-4-methylaniline
CID 43230331

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (CID 28664744) is N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is XVENSIRNLREBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-8-13(9(2)18(3)17-8)16-7-10-11(14)5-4-6-12(10)15/h4-6,16H,7H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 267.73 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 28664744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).