4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine

C10H8Cl3N3O — CID 19618319

IUPAC4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine
SMILESNc1nn(COc2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C10H8Cl3N3O/c11-6-2-1-3-7(12)9(6)17-5-16-4-8(13)10(14)15-16/h1-4H,5H2,(H2,14,15)
InChIKeyZRPXAOZWPRZOKT-UHFFFAOYSA-N
MW292.55 g/mol
LogP3.46
Rot. Bonds3

About 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine

4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine (PubChem CID 19618319) has the molecular formula C10H8Cl3N3O and a molecular weight of 292.55 g/mol. Its IUPAC name is 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine
PubChem CID19618319
Molecular FormulaC10H8Cl3N3O
Molecular Weight292.55 g/mol
Exact Mass290.97
IUPAC Name4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine
SMILESNc1nn(COc2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C10H8Cl3N3O/c11-6-2-1-3-7(12)9(6)17-5-16-4-8(13)10(14)15-16/h1-4H,5H2,(H2,14,15)
InChIKeyZRPXAOZWPRZOKT-UHFFFAOYSA-N
XLogP3.46
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine
CID 19618317
4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride
CID 132586358
4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
CID 19618327
1-[(4-tert-butylphenoxy)methyl]-4-chloropyrazol-3-amine
CID 19618329
4-chloro-1-ethylpyrazol-3-amine
CID 19576739
1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
2-[2-[(3-amino-4-chloropyrazol-1-yl)methyl]phenyl]acetic acid
CID 113314556
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
4-chloro-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
CID 112650324
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine (CID 19618319) is 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine is Nc1nn(COc2c(Cl)cccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine?
The InChIKey is ZRPXAOZWPRZOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O/c11-6-2-1-3-7(12)9(6)17-5-16-4-8(13)10(14)15-16/h1-4H,5H2,(H2,14,15).
What are the key properties of 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine?
4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine has a molecular weight of 292.55 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).