3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine

C10H9Cl2N3 — CID 71514034

IUPAC3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H9Cl2N3/c1-15-5-8(13)10(14-15)9-6(11)3-2-4-7(9)12/h2-5H,13H2,1H3
InChIKeyRDAYKRSTAKDQNY-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.98
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine

3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine (PubChem CID 71514034) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine
PubChem CID71514034
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H9Cl2N3/c1-15-5-8(13)10(14-15)9-6(11)3-2-4-7(9)12/h2-5H,13H2,1H3
InChIKeyRDAYKRSTAKDQNY-UHFFFAOYSA-N
XLogP2.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
3-chloro-1-methylpyrazol-4-amine;hydrochloride
CID 154814564
3-(2,6-dichlorophenyl)-1-methylpyrazole
CID 173078305
3-tert-butyl-5-(2,6-dichlorophenyl)imidazol-4-amine
CID 62017739
4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972739
(2-chlorophenyl)methyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355449
3-chloro-2-(4,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 63723452
3-(5-bromofuran-2-yl)-1-methylpyrazol-4-amine
CID 104653705
3-(2-chloro-6-nitrophenyl)-1,4-dimethylpyrazol-5-amine
CID 63658949
3-(2,6-dichlorophenyl)-4-methyl-1-propan-2-ylpyrazole;ethane
CID 142566077
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine
CID 62224310

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine (CID 71514034) is 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine is Cn1cc(N)c(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine?
The InChIKey is RDAYKRSTAKDQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3/c1-15-5-8(13)10(14-15)9-6(11)3-2-4-7(9)12/h2-5H,13H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine?
3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine has a molecular weight of 242.11 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 71514034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).