4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine

C12H14ClN3 — CID 83912085

IUPAC4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(C)cc(-c2nn(C)c(N)c2Cl)c1
InChIInChI=1S/C12H14ClN3/c1-7-4-8(2)6-9(5-7)11-10(13)12(14)16(3)15-11/h4-6H,14H2,1-3H3
InChIKeyGPAHGHLUJBOIDD-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.94
Rot. Bonds1

About 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine

4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine (PubChem CID 83912085) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine
PubChem CID83912085
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(C)cc(-c2nn(C)c(N)c2Cl)c1
InChIInChI=1S/C12H14ClN3/c1-7-4-8(2)6-9(5-7)11-10(13)12(14)16(3)15-11/h4-6H,14H2,1-3H3
InChIKeyGPAHGHLUJBOIDD-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
3-(3-bromo-5-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 104853069
3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81322868
3-(3-chloro-5-methylphenyl)-1-methylpyrazol-5-amine
CID 81323807
3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670796
3-(3-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 104853079
4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
CID 83910681
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83204490
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760
5-bromo-3-(3,5-dimethylphenyl)-1-methylpyrazole-4-carbaldehyde
CID 87406107
3-(2-chlorofuran-3-yl)-1-methyl-4-(4-methylphenyl)pyrazol-5-amine
CID 106687607
4-chloro-2-methyl-5-(3-methylphenyl)pyrazole-3-carbaldehyde
CID 83911945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine (CID 83912085) is 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine is Cc1cc(C)cc(-c2nn(C)c(N)c2Cl)c1.
What is the InChIKey of 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GPAHGHLUJBOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-7-4-8(2)6-9(5-7)11-10(13)12(14)16(3)15-11/h4-6H,14H2,1-3H3.
What are the key properties of 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine?
4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 235.72 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3,5-dimethylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 83912085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).