N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide

C19H25F4N3O — CID 169169309

IUPACN-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCn1nc(CC2CCC(F)(F)C2)c(C2CCC2)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C19H25F4N3O/c1-26-16(24-17(27)13-9-19(22,23)10-13)15(12-3-2-4-12)14(25-26)7-11-5-6-18(20,21)8-11/h11-13H,2-10H2,1H3,(H,24,27)
InChIKeySWNGPPBURREILJ-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.65
Rot. Bonds5

About N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide

N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 169169309) has the molecular formula C19H25F4N3O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID169169309
Molecular FormulaC19H25F4N3O
Molecular Weight387.42 g/mol
Exact Mass387.19
IUPAC NameN-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCn1nc(CC2CCC(F)(F)C2)c(C2CCC2)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C19H25F4N3O/c1-26-16(24-17(27)13-9-19(22,23)10-13)15(12-3-2-4-12)14(25-26)7-11-5-6-18(20,21)8-11/h11-13H,2-10H2,1H3,(H,24,27)
InChIKeySWNGPPBURREILJ-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169294
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3,3-dimethylbutanamide
CID 169169295
1-[4-(Azetidin-3-ylmethyl)-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 169169302

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide (CID 169169309) is N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide is Cn1nc(CC2CCC(F)(F)C2)c(C2CCC2)c1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is SWNGPPBURREILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F4N3O/c1-26-16(24-17(27)13-9-19(22,23)10-13)15(12-3-2-4-12)14(25-26)7-11-5-6-18(20,21)8-11/h11-13H,2-10H2,1H3,(H,24,27).
What are the key properties of N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide?
N-[4-cyclobutyl-3-[(3,3-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 387.42 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-difluorocyclopentyl)methyl]-1-methylpyrazol-5-yl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 169169309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).