8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C20H25N5O3 — CID 172672609

About 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one

8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172672609) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
• PubChem CID: 172672609
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
• SMILES: Cc1[nH]nc(C2CC2)c1C(=O)N1CCC2(CC1)CC(Cn1ccnc1)OC2=O
• InChI: InChI=1S/C20H25N5O3/c1-13-16(17(23-22-13)14-2-3-14)18(26)25-7-4-20(5-8-25)10-15(28-19(20)27)11-24-9-6-21-12-24/h6,9,12,14-15H,2-5,7-8,10-11H2,1H3,(H,22,23)
• InChIKey: DNZQLBGYBLKDKV-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 93.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The IUPAC name of 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172672609) is 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

What is the SMILES notation for 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The canonical SMILES for 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one is Cc1[nH]nc(C2CC2)c1C(=O)N1CCC2(CC1)CC(Cn1ccnc1)OC2=O.

What is the InChIKey of 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The InChIKey is DNZQLBGYBLKDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-16(17(23-22-13)14-2-3-14)18(26)25-7-4-20(5-8-25)10-15(28-19(20)27)11-24-9-6-21-12-24/h6,9,12,14-15H,2-5,7-8,10-11H2,1H3,(H,22,23).

What are the key properties of 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 383.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172672609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).