4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine

C12H14ClN3O2S — CID 104519635

IUPAC4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1-c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C12H14ClN3O2S/c1-7(19(2,17)18)11-10(12(14)16-15-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyXZPVCULGYPWDGD-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.42
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine

4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine (PubChem CID 104519635) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
PubChem CID104519635
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1-c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C12H14ClN3O2S/c1-7(19(2,17)18)11-10(12(14)16-15-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyXZPVCULGYPWDGD-UHFFFAOYSA-N
XLogP2.42
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519640
5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104519732
4-(2-bromophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519711
4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 82089340
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539
4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522867
3-(4-chlorophenyl)-5-methylsulfonyl-1H-1,2,4-triazole
CID 726128
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
5-(4-bromo-2-chlorophenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43805557
4-(4-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66198932
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 66396124
5-(4-chlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523727

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine (CID 104519635) is 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine is CC(c1[nH]nc(N)c1-c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
The InChIKey is XZPVCULGYPWDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-7(19(2,17)18)11-10(12(14)16-15-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H3,14,15,16).
What are the key properties of 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine?
4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine has a molecular weight of 299.78 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 104519635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).