N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide

C19H29F2N3O — CID 169169352

IUPACN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide
SMILESCn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C19H29F2N3O/c1-18(2,3)11-15(25)22-17-16(13-6-5-7-13)14(23-24(17)4)8-12-9-19(20,21)10-12/h12-13H,5-11H2,1-4H3,(H,22,25)
InChIKeyQIFUFOQYOHMOJE-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.65
Rot. Bonds5

About N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide

N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide (PubChem CID 169169352) has the molecular formula C19H29F2N3O and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide
PubChem CID169169352
Molecular FormulaC19H29F2N3O
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC NameN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide
SMILESCn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C19H29F2N3O/c1-18(2,3)11-15(25)22-17-16(13-6-5-7-13)14(23-24(17)4)8-12-9-19(20,21)10-12/h12-13H,5-11H2,1-4H3,(H,22,25)
InChIKeyQIFUFOQYOHMOJE-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-tert-butyl-2-(cyclobutylmethyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 87087510
N-[3-tert-butyl-1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 87795784
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-(trifluoromethyl)octanamide
CID 169169255
N-[4-cyclobutyl-5-(3,3-dimethoxycyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169264
(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169265
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
3-cyclobutyl-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169271
N-[1-butan-2-yl-3-(3,3-difluoro-1-methylcyclohexyl)-4-methylpyrazol-5-yl]-2-(1-methylcyclopropyl)acetamide;ethane
CID 169169275
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169281
2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate
CID 169169283
N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169288
(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169291

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide (CID 169169352) is N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide is Cn1nc(CC2CC(F)(F)C2)c(C2CCC2)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide?
The InChIKey is QIFUFOQYOHMOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N3O/c1-18(2,3)11-15(25)22-17-16(13-6-5-7-13)14(23-24(17)4)8-12-9-19(20,21)10-12/h12-13H,5-11H2,1-4H3,(H,22,25).
What are the key properties of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide?
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide has a molecular weight of 353.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 169169352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).