1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine

C11H11ClFN3 — CID 7017723

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFN3/c1-7-5-11(14)15-16(7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyQEQIDLPZGDGMTK-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.61
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine

1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 7017723) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID7017723
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFN3/c1-7-5-11(14)15-16(7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyQEQIDLPZGDGMTK-UHFFFAOYSA-N
XLogP2.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
1-[(3-Chlorophenyl)methyl]-1H-pyrazol-3-amine
CID 16195077
2-(4-Chloro-benzyl)-5-p-tolyl-2H-pyrazol-3-ylamine
CID 814443
1-((2-chlorophenyl)methyl)-1H-pyrazol-5-amine
CID 2560633
1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine
CID 588819
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
1-(3-chlorobenzyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 692254
1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine
CID 3161264
1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 608335

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine (CID 7017723) is 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is QEQIDLPZGDGMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-7-5-11(14)15-16(7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine?
1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 239.68 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 7017723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).