3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine

C11H20N4O2S — CID 102825873

IUPAC3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine
SMILESCC(C)n1nc(NCC2CC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C11H20N4O2S/c1-7(2)15-10(12)9(18(3,16)17)11(14-15)13-6-8-4-5-8/h7-8H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyFNLHYNZPBFGZKE-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.27
Rot. Bonds5

About 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine

3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine (PubChem CID 102825873) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine
PubChem CID102825873
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine
SMILESCC(C)n1nc(NCC2CC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C11H20N4O2S/c1-7(2)15-10(12)9(18(3,16)17)11(14-15)13-6-8-4-5-8/h7-8H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyFNLHYNZPBFGZKE-UHFFFAOYSA-N
XLogP1.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine (CID 102825873) is 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine is CC(C)n1nc(NCC2CC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine?
The InChIKey is FNLHYNZPBFGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-7(2)15-10(12)9(18(3,16)17)11(14-15)13-6-8-4-5-8/h7-8H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine?
3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine has a molecular weight of 272.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-4-methylsulfonyl-1-propan-2-ylpyrazole-3,5-diamine is sourced from PubChem (CID 102825873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).