5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine

C11H12ClN3 — CID 58063417

IUPAC5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine
SMILESCc1ccc(Cl)cc1-c1c(N)cnn1C
InChIInChI=1S/C11H12ClN3/c1-7-3-4-8(12)5-9(7)11-10(13)6-14-15(11)2/h3-6H,13H2,1-2H3
InChIKeyBAHHVIUFCFKGER-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.63
Rot. Bonds1

About 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine

5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine (PubChem CID 58063417) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine
PubChem CID58063417
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine
SMILESCc1ccc(Cl)cc1-c1c(N)cnn1C
InChIInChI=1S/C11H12ClN3/c1-7-3-4-8(12)5-9(7)11-10(13)6-14-15(11)2/h3-6H,13H2,1-2H3
InChIKeyBAHHVIUFCFKGER-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209858
1-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209965
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838
1-(4-chlorobenzyl)-3-cyclopropyl-1H-pyrazole
CID 3797105
1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 608335
US10155727, Example 62
CID 118864420
4-(3-Chlorophenyl)-1-methyltriazole
CID 60154826
US10155727, Example 61
CID 118864265
US10155727, Example 59
CID 118864331
US10155727, Example 60
CID 118864478
US10155727, Example 63
CID 118864324
Pyrazole, 4-amino-1-methyl-5-phenyl-, hydrochloride
CID 3021887

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine?
The IUPAC name of 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine (CID 58063417) is 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine is Cc1ccc(Cl)cc1-c1c(N)cnn1C.
What is the InChIKey of 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine?
The InChIKey is BAHHVIUFCFKGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7-3-4-8(12)5-9(7)11-10(13)6-14-15(11)2/h3-6H,13H2,1-2H3.
What are the key properties of 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine?
5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine has a molecular weight of 221.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 58063417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).