N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C20H24N4O2S — CID 55948416

About N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 55948416) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
• PubChem CID: 55948416
• Molecular Formula: C20H24N4O2S
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.16
• IUPAC Name: N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
• SMILES: CCC(C)NC(=O)CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
• InChI: InChI=1S/C20H24N4O2S/c1-4-13(2)22-18(25)10-11-21-19(26)17-12-16-14(3)23-24(20(16)27-17)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,26)(H,22,25)
• InChIKey: DOGDHNOSXLDWKM-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?

The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 55948416) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?

The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is CCC(C)NC(=O)CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.

What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?

The InChIKey is DOGDHNOSXLDWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-4-13(2)22-18(25)10-11-21-19(26)17-12-16-14(3)23-24(20(16)27-17)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,26)(H,22,25).

What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 55948416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).