[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine

C13H17N3O2S — CID 84761660

IUPAC[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(S(C)(=O)=O)cc2)cc1CN
InChIInChI=1S/C13H17N3O2S/c1-3-16-11(9-14)8-13(15-16)10-4-6-12(7-5-10)19(2,17)18/h4-8H,3,9,14H2,1-2H3
InChIKeyPZZLHOZFPBPTPR-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.43
Rot. Bonds4

About [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine

[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine (PubChem CID 84761660) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
PubChem CID84761660
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
SMILESCCn1nc(-c2ccc(S(C)(=O)=O)cc2)cc1CN
InChIInChI=1S/C13H17N3O2S/c1-3-16-11(9-14)8-13(15-16)10-4-6-12(7-5-10)19(2,17)18/h4-8H,3,9,14H2,1-2H3
InChIKeyPZZLHOZFPBPTPR-UHFFFAOYSA-N
XLogP1.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-bromophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761577
[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746375
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
[3-(3,4-dimethylphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746367
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
CID 84761606
(1-ethyl-3-iodopyrazol-5-yl)methanamine
CID 154881848
6-[5-(aminomethyl)-1-ethylpyrazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 84761603
(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)methanamine
CID 121211007
4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one
CID 82444722
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609
[1-methyl-3-(4-methylsulfonylphenyl)pyrazol-4-yl]methanamine
CID 79485117

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine?
The IUPAC name of [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine (CID 84761660) is [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine is CCn1nc(-c2ccc(S(C)(=O)=O)cc2)cc1CN.
What is the InChIKey of [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine?
The InChIKey is PZZLHOZFPBPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-16-11(9-14)8-13(15-16)10-4-6-12(7-5-10)19(2,17)18/h4-8H,3,9,14H2,1-2H3.
What are the key properties of [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine?
[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine has a molecular weight of 279.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine is sourced from PubChem (CID 84761660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).