1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine

C10H9ClFN3O — CID 19618278

IUPAC1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine
SMILESNc1ccn(COc2ccc(Cl)cc2F)n1
InChIInChI=1S/C10H9ClFN3O/c11-7-1-2-9(8(12)5-7)16-6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKeyAICZXFCTILYPGY-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.29
Rot. Bonds3

About 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine

1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine (PubChem CID 19618278) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine
PubChem CID19618278
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine
SMILESNc1ccn(COc2ccc(Cl)cc2F)n1
InChIInChI=1S/C10H9ClFN3O/c11-7-1-2-9(8(12)5-7)16-6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKeyAICZXFCTILYPGY-UHFFFAOYSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethylphenoxy)methyl]pyrazol-3-amine
CID 19618300
1-[3-(2,4-dichlorophenoxy)propyl]pyrazol-3-amine
CID 63310933
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 42281976
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 64853417
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19279852
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19274429
methyl 1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017513
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
O-(4-chloro-2-fluorophenyl)hydroxylamine
CID 130505440
1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19270375

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine (CID 19618278) is 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine is Nc1ccn(COc2ccc(Cl)cc2F)n1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine?
The InChIKey is AICZXFCTILYPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-7-1-2-9(8(12)5-7)16-6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14).
What are the key properties of 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine?
1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine has a molecular weight of 241.65 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).