(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate

C17H21F4N3O2 — CID 169169315

IUPAC(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1
InChIInChI=1S/C17H21F4N3O2/c1-24-14(22-15(25)26-11-7-17(20,21)8-11)12(9-3-2-4-9)13(23-24)10-5-16(18,19)6-10/h9-11H,2-8H2,1H3,(H,22,25)
InChIKeyWWUPRIWDHVSMSB-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.55
Rot. Bonds4

About (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate

(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate (PubChem CID 169169315) has the molecular formula C17H21F4N3O2 and a molecular weight of 375.37 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
PubChem CID169169315
Molecular FormulaC17H21F4N3O2
Molecular Weight375.37 g/mol
Exact Mass375.16
IUPAC Name(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1
InChIInChI=1S/C17H21F4N3O2/c1-24-14(22-15(25)26-11-7-17(20,21)8-11)12(9-3-2-4-9)13(23-24)10-5-16(18,19)6-10/h9-11H,2-8H2,1H3,(H,22,25)
InChIKeyWWUPRIWDHVSMSB-UHFFFAOYSA-N
XLogP4.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.55
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-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The IUPAC name of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate (CID 169169315) is (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The canonical SMILES for (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate is Cn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The InChIKey is WWUPRIWDHVSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4N3O2/c1-24-14(22-15(25)26-11-7-17(20,21)8-11)12(9-3-2-4-9)13(23-24)10-5-16(18,19)6-10/h9-11H,2-8H2,1H3,(H,22,25).
What are the key properties of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate has a molecular weight of 375.37 g/mol, XLogP of 4.55, 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-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).