N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide

C23H32N4O — CID 66959030

IUPACN-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide
SMILESCCCCc1c(-c2ccccc2NC(=O)C(C)(C)C)c(C#N)nn1C(C)(C)C
InChIInChI=1S/C23H32N4O/c1-8-9-14-19-20(18(15-24)26-27(19)23(5,6)7)16-12-10-11-13-17(16)25-21(28)22(2,3)4/h10-13H,8-9,14H2,1-7H3,(H,25,28)
InChIKeyQZWBGEYFOJFHET-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.50
Rot. Bonds5

About N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide

N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 66959030) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID66959030
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide
SMILESCCCCc1c(-c2ccccc2NC(=O)C(C)(C)C)c(C#N)nn1C(C)(C)C
InChIInChI=1S/C23H32N4O/c1-8-9-14-19-20(18(15-24)26-27(19)23(5,6)7)16-12-10-11-13-17(16)25-21(28)22(2,3)4/h10-13H,8-9,14H2,1-7H3,(H,25,28)
InChIKeyQZWBGEYFOJFHET-UHFFFAOYSA-N
XLogP5.50
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
CID 15274530
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
CID 3205877
N-[2-[2-(1-cyanopentan-3-yl)-3-pyridinyl]phenyl]-2,2-dimethylpropanamide
CID 10712781
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
CID 4170097
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
N-[2-(2-ethyl-3-fluoro-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 11822715
N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
CID 155930374
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide (CID 66959030) is N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide is CCCCc1c(-c2ccccc2NC(=O)C(C)(C)C)c(C#N)nn1C(C)(C)C.
What is the InChIKey of N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is QZWBGEYFOJFHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-8-9-14-19-20(18(15-24)26-27(19)23(5,6)7)16-12-10-11-13-17(16)25-21(28)22(2,3)4/h10-13H,8-9,14H2,1-7H3,(H,25,28).
What are the key properties of N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide?
N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 380.54 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-butyl-1-tert-butyl-3-cyanopyrazol-4-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 66959030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).