4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine

C12H15N3O2S — CID 142636787

IUPAC4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-2-10-11(12(13)15-14-10)18(16,17)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,13,14,15)
InChIKeyLBSORNCDMLRBLP-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.53
Rot. Bonds4

About 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine

4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine (PubChem CID 142636787) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine
PubChem CID142636787
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-2-10-11(12(13)15-14-10)18(16,17)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,13,14,15)
InChIKeyLBSORNCDMLRBLP-UHFFFAOYSA-N
XLogP1.53
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzylsulfonyl-5-nitro-1H-1,2,4-triazole
CID 137172466
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4-chloro-5-ethyl-1H-pyrazol-3-amine
CID 83905006
5-benzylsulfonyl-6-(difluoromethyl)-1H-pyrimidine-2,4-dione
CID 6421518
4-benzylsulfonyl-2-methylaniline
CID 81182009
4-amino-N-benzyl-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081458
CID 68896583
CID 68896583
azane;phenylmethanesulfonamide
CID 67842568
2-benzylsulfonylquinoline
CID 134095995
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
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CID 45032911

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine (CID 142636787) is 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine?
The InChIKey is LBSORNCDMLRBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-10-11(12(13)15-14-10)18(16,17)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H3,13,14,15).
What are the key properties of 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine?
4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine has a molecular weight of 265.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfonyl-5-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 142636787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).