(3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate

C19H20F3N3O2 — CID 169169549

IUPAC(3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
SMILESCc1c(C2CC(F)(F)C2)nn(-c2ccccc2)c1NC(=O)OC1CC(F)C1
InChIInChI=1S/C19H20F3N3O2/c1-11-16(12-9-19(21,22)10-12)24-25(14-5-3-2-4-6-14)17(11)23-18(26)27-15-7-13(20)8-15/h2-6,12-13,15H,7-10H2,1H3,(H,23,26)
InChIKeyGKYOOGFBMLIRFS-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.74
Rot. Bonds4

About (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate

(3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate (PubChem CID 169169549) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
PubChem CID169169549
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate
SMILESCc1c(C2CC(F)(F)C2)nn(-c2ccccc2)c1NC(=O)OC1CC(F)C1
InChIInChI=1S/C19H20F3N3O2/c1-11-16(12-9-19(21,22)10-12)24-25(14-5-3-2-4-6-14)17(11)23-18(26)27-15-7-13(20)8-15/h2-6,12-13,15H,7-10H2,1H3,(H,23,26)
InChIKeyGKYOOGFBMLIRFS-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate?
The IUPAC name of (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate (CID 169169549) is (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate.
What is the SMILES notation for (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate?
The canonical SMILES for (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate is Cc1c(C2CC(F)(F)C2)nn(-c2ccccc2)c1NC(=O)OC1CC(F)C1.
What is the InChIKey of (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate?
The InChIKey is GKYOOGFBMLIRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11-16(12-9-19(21,22)10-12)24-25(14-5-3-2-4-6-14)17(11)23-18(26)27-15-7-13(20)8-15/h2-6,12-13,15H,7-10H2,1H3,(H,23,26).
What are the key properties of (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate?
(3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate has a molecular weight of 379.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-phenylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).