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

C24H30N4O2 — CID 155881305

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CC(C(=O)NCC4CC4)C4(CCC4)C3)[nH]n2)cc1C
InChIInChI=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)
InChIKeyLFFSTIDWGMYNNB-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.46
Rot. Bonds5

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 NameN-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID155881305
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-(cyclopropylmethyl)-6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CC(C(=O)NCC4CC4)C4(CCC4)C3)[nH]n2)cc1C
InChIInChI=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)
InChIKeyLFFSTIDWGMYNNB-UHFFFAOYSA-N
XLogP3.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).

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