3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide

C10H16N6O2S — CID 60810435

IUPAC3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cnn(C)c2)c(N)n1
InChIInChI=1S/C10H16N6O2S/c1-3-4-16-7-9(10(11)13-16)19(17,18)14-8-5-12-15(2)6-8/h5-7,14H,3-4H2,1-2H3,(H2,11,13)
InChIKeyADXPRVCGTCUHQP-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.41
Rot. Bonds5

About 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60810435) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
PubChem CID60810435
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC Name3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cnn(C)c2)c(N)n1
InChIInChI=1S/C10H16N6O2S/c1-3-4-16-7-9(10(11)13-16)19(17,18)14-8-5-12-15(2)6-8/h5-7,14H,3-4H2,1-2H3,(H2,11,13)
InChIKeyADXPRVCGTCUHQP-UHFFFAOYSA-N
XLogP0.41
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide (CID 60810435) is 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cnn(C)c2)c(N)n1.
What is the InChIKey of 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is ADXPRVCGTCUHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-3-4-16-7-9(10(11)13-16)19(17,18)14-8-5-12-15(2)6-8/h5-7,14H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylpyrazol-4-yl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60810435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).