N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide

C24H30N4O2 — CID 155881305

About N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide

N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 155881305) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide
• PubChem CID: 155881305
• Molecular Formula: C24H30N4O2
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.24
• IUPAC Name: N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)N3CC(C(=O)NCC4CC4)C4(CCC4)C3)[nH]n2)cc1C
• InChI: InChI=1S/C24H30N4O2/c1-15-4-7-18(10-16(15)2)20-11-21(27-26-20)23(30)28-13-19(24(14-28)8-3-9-24)22(29)25-12-17-5-6-17/h4,7,10-11,17,19H,3,5-6,8-9,12-14H2,1-2H3,(H,25,29)(H,26,27)
• InChIKey: LFFSTIDWGMYNNB-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide (CID 155881305) is N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide is Cc1ccc(-c2cc(C(=O)N3CC(C(=O)NCC4CC4)C4(CCC4)C3)[nH]n2)cc1C.

What is the InChIKey of N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide?

The InChIKey is LFFSTIDWGMYNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-15-4-7-18(10-16(15)2)20-11-21(27-26-20)23(30)28-13-19(24(14-28)8-3-9-24)22(29)25-12-17-5-6-17/h4,7,10-11,17,19H,3,5-6,8-9,12-14H2,1-2H3,(H,25,29)(H,26,27).

What are the key properties of N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide?

N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 155881305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).