3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine

C9H16N4O2S — CID 102825496

IUPAC3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCn1nc(NCC2CC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C9H16N4O2S/c1-13-8(10)7(16(2,14)15)9(12-13)11-5-6-3-4-6/h6H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyZLNATECKKGHLTB-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.23
Rot. Bonds4

About 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine

3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102825496) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102825496
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCn1nc(NCC2CC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C9H16N4O2S/c1-13-8(10)7(16(2,14)15)9(12-13)11-5-6-3-4-6/h6H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyZLNATECKKGHLTB-UHFFFAOYSA-N
XLogP0.23
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102825496) is 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine is Cn1nc(NCC2CC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is ZLNATECKKGHLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13-8(10)7(16(2,14)15)9(12-13)11-5-6-3-4-6/h6H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 244.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102825496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).