4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine

C14H17Cl2N3 — CID 43336246

IUPAC4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1nn(C)c(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-8(2)7-11-13(14(17)19(3)18-11)12-9(15)5-4-6-10(12)16/h4-6,8H,7,17H2,1-3H3
InChIKeyXAIJHJUIFJPKKI-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.17
Rot. Bonds3

About 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine

4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine (PubChem CID 43336246) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
PubChem CID43336246
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1nn(C)c(N)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-8(2)7-11-13(14(17)19(3)18-11)12-9(15)5-4-6-10(12)16/h4-6,8H,7,17H2,1-3H3
InChIKeyXAIJHJUIFJPKKI-UHFFFAOYSA-N
XLogP4.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 55143798
3-(5-chlorothiophen-2-yl)-4-(2,6-dichlorophenyl)-1-methylpyrazol-5-amine
CID 62277257
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
4-(2,6-dichlorophenyl)-1-methyl-3-(5-methylfuran-3-yl)pyrazol-5-amine
CID 114821040
8-chloro-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 103095037
4-(3-chloro-2-fluorophenyl)-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine
CID 82802228
4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine
CID 114875030
1-methyl-3-(3-methylbutyl)-4-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 43336708
3-(2-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81453840
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine (CID 43336246) is 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine is CC(C)Cc1nn(C)c(N)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is XAIJHJUIFJPKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-8(2)7-11-13(14(17)19(3)18-11)12-9(15)5-4-6-10(12)16/h4-6,8H,7,17H2,1-3H3.
What are the key properties of 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine?
4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 298.22 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 43336246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).