3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine

C14H25N3O2S — CID 82703237

IUPAC3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine
SMILESCCc1nn(C2CCCC(S(C)(=O)=O)C2)c(CC)c1N
InChIInChI=1S/C14H25N3O2S/c1-4-12-14(15)13(5-2)17(16-12)10-7-6-8-11(9-10)20(3,18)19/h10-11H,4-9,15H2,1-3H3
InChIKeyDBZKYZXORLGUGK-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.12
Rot. Bonds4

About 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine

3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine (PubChem CID 82703237) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine
PubChem CID82703237
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine
SMILESCCc1nn(C2CCCC(S(C)(=O)=O)C2)c(CC)c1N
InChIInChI=1S/C14H25N3O2S/c1-4-12-14(15)13(5-2)17(16-12)10-7-6-8-11(9-10)20(3,18)19/h10-11H,4-9,15H2,1-3H3
InChIKeyDBZKYZXORLGUGK-UHFFFAOYSA-N
XLogP2.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(Ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 123273960
3,5-Diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-amine
CID 113543898
1-[1-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1H-pyrazol-4-yl]piperazine
CID 49657916
3,5-Dimethyl-1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine
CID 147903550
1-(1,1-Dioxothietan-3-yl)-3,5-dimethylpyrazol-4-amine
CID 179054673
N-(1,3,5-trimethylpyrazol-4-yl)propane-2-sulfonamide
CID 3813224
N-(1,3,5-trimethylpyrazol-4-yl)butane-1-sulfonamide
CID 22203636
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanesulfonamide
CID 22204378
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
CID 22204379
1-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43420054
N-(1,1-dioxothian-4-yl)-1,3,5-trimethylpyrazol-4-amine
CID 43511631
1-(2-(Ethylsulfonyl)ethyl)-3,5-dimethyl-1h-pyrazol-4-amine
CID 43807775

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine (CID 82703237) is 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine is CCc1nn(C2CCCC(S(C)(=O)=O)C2)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine?
The InChIKey is DBZKYZXORLGUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-12-14(15)13(5-2)17(16-12)10-7-6-8-11(9-10)20(3,18)19/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine?
3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine has a molecular weight of 299.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine is sourced from PubChem (CID 82703237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).