1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine

C18H19N3O4S — CID 5307700

IUPAC1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-24-14-8-9-15(17(10-14)25-2)16-11-18(19)21(20-16)26(22,23)12-13-6-4-3-5-7-13/h3-11H,12,19H2,1-2H3
InChIKeyYBPAAKQGXZXUPQ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.53
Rot. Bonds6

About 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine

1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine (PubChem CID 5307700) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine
PubChem CID5307700
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine
SMILESCOc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-24-14-8-9-15(17(10-14)25-2)16-11-18(19)21(20-16)26(22,23)12-13-6-4-3-5-7-13/h3-11H,12,19H2,1-2H3
InChIKeyYBPAAKQGXZXUPQ-UHFFFAOYSA-N
XLogP2.53
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 9550219
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CID 5307562
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CID 5309498
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CID 9550527
CID 9550527
CID 9551561
CID 9551561
CID 9550526
CID 9550526
CID 9551560
CID 9551560
CID 9551528
CID 9551528
CID 3772691
CID 3772691
CID 20873591
CID 20873591
CID 16654627
CID 16654627

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine?
The IUPAC name of 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine (CID 5307700) is 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine is COc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c(OC)c1.
What is the InChIKey of 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine?
The InChIKey is YBPAAKQGXZXUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-24-14-8-9-15(17(10-14)25-2)16-11-18(19)21(20-16)26(22,23)12-13-6-4-3-5-7-13/h3-11H,12,19H2,1-2H3.
What are the key properties of 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine?
1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine has a molecular weight of 373.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-(2,4-dimethoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 5307700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).