N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide

C24H29F2N3O — CID 172633793

IUPACN-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCn1nc(C2CC(c3ccccc3)C2)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C24H29F2N3O/c1-29-23(27-20(30)10-15-13-24(25,26)14-15)21(17-8-5-9-17)22(28-29)19-11-18(12-19)16-6-3-2-4-7-16/h2-4,6-7,15,17-19H,5,8-14H2,1H3,(H,27,30)
InChIKeyVWHUQROTCUECEP-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.72
Rot. Bonds6

About N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide

N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 172633793) has the molecular formula C24H29F2N3O and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID172633793
Molecular FormulaC24H29F2N3O
Molecular Weight413.51 g/mol
Exact Mass413.23
IUPAC NameN-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESCn1nc(C2CC(c3ccccc3)C2)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C24H29F2N3O/c1-29-23(27-20(30)10-15-13-24(25,26)14-15)21(17-8-5-9-17)22(28-29)19-11-18(12-19)16-6-3-2-4-7-16/h2-4,6-7,15,17-19H,5,8-14H2,1H3,(H,27,30)
InChIKeyVWHUQROTCUECEP-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyclobutyl-3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169454
1-[4-cyclobutyl-5-(3-hydroxycyclobutyl)-2-methylpyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169358
1-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-[(1S)-1-cyclopropylethyl]urea
CID 172633950
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 172633791
1-[4-cyclobutyl-2-methyl-5-(3-oxocyclobutyl)pyrazol-3-yl]-3-(3,3-difluorocyclobutyl)urea
CID 169169307
(2R)-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2,3-dimethylbutanamide
CID 169169622
(1S)-N-[4-cyclobutyl-5-(3,3-dimethylcyclobutyl)-2-methylpyrazol-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169357
N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633731
N-[4-cyclobutyl-3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-2-[(1S)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633865
N-[4-cyclobutyl-3-[(1S)-1-(3,3-difluorocyclobutyl)ethyl]-1-methylpyrazol-5-yl]-3,3-dimethylbutanamide
CID 169169455
N-[4-cyclobutyl-1-methyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrazol-5-yl]-2-[(1S)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633900
N-[4-cyclobutyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2,2-difluorospiro[3.3]heptane-6-carboxamide
CID 172633809

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide (CID 172633793) is N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide is Cn1nc(C2CC(c3ccccc3)C2)c(C2CCC2)c1NC(=O)CC1CC(F)(F)C1.
What is the InChIKey of N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is VWHUQROTCUECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O/c1-29-23(27-20(30)10-15-13-24(25,26)14-15)21(17-8-5-9-17)22(28-29)19-11-18(12-19)16-6-3-2-4-7-16/h2-4,6-7,15,17-19H,5,8-14H2,1H3,(H,27,30).
What are the key properties of N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 413.51 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-2-methyl-5-(3-phenylcyclobutyl)pyrazol-3-yl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 172633793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).