N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

C19H24N6O3S2 — CID 78879720

About N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 78879720) has the molecular formula C19H24N6O3S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
• PubChem CID: 78879720
• Molecular Formula: C19H24N6O3S2
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.14
• IUPAC Name: N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
• SMILES: Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)[nH]n1
• InChI: InChI=1S/C19H24N6O3S2/c1-12-18(13(2)24(3)22-12)15-11-16(21-20-15)19(26)25-8-6-14(7-9-25)23-30(27,28)17-5-4-10-29-17/h4-5,10-11,14,23H,6-9H2,1-3H3,(H,20,21)
• InChIKey: QRRMSAAPQGGOEN-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 112.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?

The IUPAC name of N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 78879720) is N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide is Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)[nH]n1.

What is the InChIKey of N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?

The InChIKey is QRRMSAAPQGGOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S2/c1-12-18(13(2)24(3)22-12)15-11-16(21-20-15)19(26)25-8-6-14(7-9-25)23-30(27,28)17-5-4-10-29-17/h4-5,10-11,14,23H,6-9H2,1-3H3,(H,20,21).

What are the key properties of N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?

N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 448.57 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 78879720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).