5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C24H29N5O3 — CID 164971281

About 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164971281) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 164971281
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(C4CCCC4)no3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C24H29N5O3/c1-14(2)29-23(25)21(24(26)31)22(27-29)17-9-7-15(8-10-17)11-18(30)12-19-13-20(28-32-19)16-5-3-4-6-16/h7-10,13-14,16H,3-6,11-12,25H2,1-2H3,(H2,26,31)
• InChIKey: DDSMERAREWHWEW-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 130.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164971281) is 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Cc3cc(C4CCCC4)no3)cc2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is DDSMERAREWHWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-14(2)29-23(25)21(24(26)31)22(27-29)17-9-7-15(8-10-17)11-18(30)12-19-13-20(28-32-19)16-5-3-4-6-16/h7-10,13-14,16H,3-6,11-12,25H2,1-2H3,(H2,26,31).

What are the key properties of 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164971281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).