4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine

C10H10ClN3O2S — CID 117432033

IUPAC4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cn[nH]c2N)cc1Cl
InChIInChI=1S/C10H10ClN3O2S/c1-17(15,16)9-3-2-6(4-8(9)11)7-5-13-14-10(7)12/h2-5H,1H3,(H3,12,13,14)
InChIKeyWOFNWYKVQNSYEX-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.72
Rot. Bonds2

About 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine

4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine (PubChem CID 117432033) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
PubChem CID117432033
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cn[nH]c2N)cc1Cl
InChIInChI=1S/C10H10ClN3O2S/c1-17(15,16)9-3-2-6(4-8(9)11)7-5-13-14-10(7)12/h2-5H,1H3,(H3,12,13,14)
InChIKeyWOFNWYKVQNSYEX-UHFFFAOYSA-N
XLogP1.72
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434460
4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117435379
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(3-chloro-5-ethyl-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117351847
4-[3-chloro-4-(oxetan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117418426
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine
CID 117372451
4-(4-chloro-1-methylindol-6-yl)-1H-pyrazol-5-amine
CID 117369267
4-(3-bromo-5-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117469643
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine (CID 117432033) is 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine is CS(=O)(=O)c1ccc(-c2cn[nH]c2N)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine?
The InChIKey is WOFNWYKVQNSYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-17(15,16)9-3-2-6(4-8(9)11)7-5-13-14-10(7)12/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine?
4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine has a molecular weight of 271.73 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylsulfonylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117432033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).