1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine

C12H22N4O2S — CID 102825977

IUPAC1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
SMILESCC(C)Nc1nn(C2CCCC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H22N4O2S/c1-8(2)14-12-10(19(3,17)18)11(13)16(15-12)9-6-4-5-7-9/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyXRQOQVKCIJIYPL-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.80
Rot. Bonds4

About 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine

1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine (PubChem CID 102825977) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
PubChem CID102825977
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
SMILESCC(C)Nc1nn(C2CCCC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H22N4O2S/c1-8(2)14-12-10(19(3,17)18)11(13)16(15-12)9-6-4-5-7-9/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyXRQOQVKCIJIYPL-UHFFFAOYSA-N
XLogP1.80
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine?
The IUPAC name of 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine (CID 102825977) is 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine.
What is the SMILES notation for 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine?
The canonical SMILES for 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine is CC(C)Nc1nn(C2CCCC2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine?
The InChIKey is XRQOQVKCIJIYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-8(2)14-12-10(19(3,17)18)11(13)16(15-12)9-6-4-5-7-9/h8-9H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine?
1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine has a molecular weight of 286.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine is sourced from PubChem (CID 102825977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).