3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide

C21H28N4O3 — CID 119146327

IUPAC3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide
SMILESCCOC1CC(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1(CC)CC
InChIInChI=1S/C21H28N4O3/c1-4-21(5-2)17(13-18(21)28-6-3)23-20(27)15-12-16(19(22)26)25(24-15)14-10-8-7-9-11-14/h7-12,17-18H,4-6,13H2,1-3H3,(H2,22,26)(H,23,27)
InChIKeyDQSDNQHVWFOCAP-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.68
Rot. Bonds8

About 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide

3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide (PubChem CID 119146327) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide
PubChem CID119146327
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide
SMILESCCOC1CC(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1(CC)CC
InChIInChI=1S/C21H28N4O3/c1-4-21(5-2)17(13-18(21)28-6-3)23-20(27)15-12-16(19(22)26)25(24-15)14-10-8-7-9-11-14/h7-12,17-18H,4-6,13H2,1-3H3,(H2,22,26)(H,23,27)
InChIKeyDQSDNQHVWFOCAP-UHFFFAOYSA-N
XLogP2.68
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-ethoxy-2,2-diethylcyclobutyl)pyridine-2,5-dicarboxamide
CID 119146326
1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
CID 119128221
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 95327410
3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119431722
1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119128240
1-[[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544814
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673960
5-[(2,2-dimethyl-3-phenylmethoxycyclobutyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 146137042
1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118366
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide (CID 119146327) is 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide is CCOC1CC(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1(CC)CC.
What is the InChIKey of 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide?
The InChIKey is DQSDNQHVWFOCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-21(5-2)17(13-18(21)28-6-3)23-20(27)15-12-16(19(22)26)25(24-15)14-10-8-7-9-11-14/h7-12,17-18H,4-6,13H2,1-3H3,(H2,22,26)(H,23,27).
What are the key properties of 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide?
3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 119146327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).