4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine

C11H12ClN3S — CID 117387554

IUPAC4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCSc1ccc(-c2cnn(C)c2N)cc1Cl
InChIInChI=1S/C11H12ClN3S/c1-15-11(13)8(6-14-15)7-3-4-10(16-2)9(12)5-7/h3-6H,13H2,1-2H3
InChIKeyFAXPKLBTFBUQJE-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.04
Rot. Bonds2

About 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine

4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117387554) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
PubChem CID117387554
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCSc1ccc(-c2cnn(C)c2N)cc1Cl
InChIInChI=1S/C11H12ClN3S/c1-15-11(13)8(6-14-15)7-3-4-10(16-2)9(12)5-7/h3-6H,13H2,1-2H3
InChIKeyFAXPKLBTFBUQJE-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117448979
4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117437063
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
3-(3-chloro-4-methylsulfanylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 123588089
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893
4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117445254
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine (CID 117387554) is 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine is CSc1ccc(-c2cnn(C)c2N)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is FAXPKLBTFBUQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-15-11(13)8(6-14-15)7-3-4-10(16-2)9(12)5-7/h3-6H,13H2,1-2H3.
What are the key properties of 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine?
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 253.76 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117387554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).