4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine

C11H12ClN3 — CID 117317358

IUPAC4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(Cl)c(-c2cn[nH]c2N)c1C
InChIInChI=1S/C11H12ClN3/c1-6-3-4-9(12)10(7(6)2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyLHORYAXADDLHEK-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.93
Rot. Bonds1

About 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine

4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine (PubChem CID 117317358) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine
PubChem CID117317358
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine
SMILESCc1ccc(Cl)c(-c2cn[nH]c2N)c1C
InChIInChI=1S/C11H12ClN3/c1-6-3-4-9(12)10(7(6)2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyLHORYAXADDLHEK-UHFFFAOYSA-N
XLogP2.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol
CID 117291742
2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
CID 117348179
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
CID 115112091
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
CID 117453130
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
CID 117348168
4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
CID 70393584
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5,6-trimethylphenol
CID 115112089
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine (CID 117317358) is 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine is Cc1ccc(Cl)c(-c2cn[nH]c2N)c1C.
What is the InChIKey of 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine?
The InChIKey is LHORYAXADDLHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-6-3-4-9(12)10(7(6)2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine?
4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine has a molecular weight of 221.69 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117317358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).