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

C10H8Cl3N3O — CID 19618317

IUPAC4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine
SMILESNc1nn(COc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C10H8Cl3N3O/c11-7-2-1-6(3-8(7)12)17-5-16-4-9(13)10(14)15-16/h1-4H,5H2,(H2,14,15)
InChIKeyXIVJOINXKNVHQL-UHFFFAOYSA-N
MW292.55 g/mol
LogP3.46
Rot. Bonds3

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

4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine (PubChem CID 19618317) has the molecular formula C10H8Cl3N3O and a molecular weight of 292.55 g/mol. Its IUPAC name is 4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine
PubChem CID19618317
Molecular FormulaC10H8Cl3N3O
Molecular Weight292.55 g/mol
Exact Mass290.97
IUPAC Name4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine
SMILESNc1nn(COc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C10H8Cl3N3O/c11-7-2-1-6(3-8(7)12)17-5-16-4-9(13)10(14)15-16/h1-4H,5H2,(H2,14,15)
InChIKeyXIVJOINXKNVHQL-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-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine
CID 19618340
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-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine
CID 19618319
4-chloro-1-[(2-fluorophenoxy)methyl]pyrazol-3-amine;hydrochloride
CID 132586358
1-[2-(3,4-dichlorophenoxy)ethyl]pyrazol-3-amine
CID 63316122
4-chloro-1-ethylpyrazol-3-amine
CID 19576739
1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017307
4-(bromomethoxy)-1,2-dichlorobenzene
CID 22961270
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
5-[(3,4-dichlorophenoxy)methyl]benzene-1,3-diamine
CID 18763424
4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
CID 19618760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine (CID 19618317) is 4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine is Nc1nn(COc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine?
The InChIKey is XIVJOINXKNVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O/c11-7-2-1-6(3-8(7)12)17-5-16-4-9(13)10(14)15-16/h1-4H,5H2,(H2,14,15).
What are the key properties of 4-chloro-1-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine?
4-chloro-1-[(3,4-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-[(3,4-dichlorophenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).