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

C18H27F2N3O — CID 169169267

IUPACN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C
InChIInChI=1S/C18H27F2N3O/c1-11(2)7-15(24)21-17-16(13-5-4-6-13)14(22-23(17)3)8-12-9-18(19,20)10-12/h11-13H,4-10H2,1-3H3,(H,21,24)
InChIKeyRSVXDJWBBVDUDZ-UHFFFAOYSA-N
MW339.43 g/mol
LogP4.26
Rot. Bonds6

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

N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide (PubChem CID 169169267) has the molecular formula C18H27F2N3O and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
PubChem CID169169267
Molecular FormulaC18H27F2N3O
Molecular Weight339.43 g/mol
Exact Mass339.21
IUPAC NameN-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C
InChIInChI=1S/C18H27F2N3O/c1-11(2)7-15(24)21-17-16(13-5-4-6-13)14(22-23(17)3)8-12-9-18(19,20)10-12/h11-13H,4-10H2,1-3H3,(H,21,24)
InChIKeyRSVXDJWBBVDUDZ-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169263
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
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
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane
CID 169169289
(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-methylbutanamide?
The IUPAC name of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide (CID 169169267) is N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1c(C2CCC2)c(CC2CC(F)(F)C2)nn1C.
What is the InChIKey of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide?
The InChIKey is RSVXDJWBBVDUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O/c1-11(2)7-15(24)21-17-16(13-5-4-6-13)14(22-23(17)3)8-12-9-18(19,20)10-12/h11-13H,4-10H2,1-3H3,(H,21,24).
What are the key properties of N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide?
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide has a molecular weight of 339.43 g/mol, XLogP of 4.26, 6 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-methylbutanamide is sourced from PubChem (CID 169169267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).