(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate

C19H20F3N3O2 — CID 169169751

IUPAC(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate
SMILESCn1nc(NC(=O)OC2CC(F)(F)C2)c(C2CCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20F3N3O2/c1-25-16(12-5-7-13(20)8-6-12)15(11-3-2-4-11)17(24-25)23-18(26)27-14-9-19(21,22)10-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,23,24,26)
InChIKeySXTYWBUSICVOLY-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.84
Rot. Bonds4

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

(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate (PubChem CID 169169751) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate
PubChem CID169169751
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate
SMILESCn1nc(NC(=O)OC2CC(F)(F)C2)c(C2CCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C19H20F3N3O2/c1-25-16(12-5-7-13(20)8-6-12)15(11-3-2-4-11)17(24-25)23-18(26)27-14-9-19(21,22)10-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,23,24,26)
InChIKeySXTYWBUSICVOLY-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate?
The IUPAC name of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate (CID 169169751) is (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate?
The canonical SMILES for (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate is Cn1nc(NC(=O)OC2CC(F)(F)C2)c(C2CCC2)c1-c1ccc(F)cc1.
What is the InChIKey of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate?
The InChIKey is SXTYWBUSICVOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-25-16(12-5-7-13(20)8-6-12)15(11-3-2-4-11)17(24-25)23-18(26)27-14-9-19(21,22)10-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,23,24,26).
What are the key properties of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate?
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate has a molecular weight of 379.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).