[(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate

C17H21F4N3O2 — CID 169169355

IUPAC[(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC[C@H]1CC1(F)F
InChIInChI=1S/C17H21F4N3O2/c1-24-14(22-15(25)26-8-11-7-17(11,20)21)12(9-3-2-4-9)13(23-24)10-5-16(18,19)6-10/h9-11H,2-8H2,1H3,(H,22,25)/t11-/m1/s1
InChIKeyMUOXVSUJKRYDEB-LLVKDONJSA-N
MW375.37 g/mol
LogP4.40
Rot. Bonds5

About [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate

[(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate (PubChem CID 169169355) has the molecular formula C17H21F4N3O2 and a molecular weight of 375.37 g/mol. Its IUPAC name is [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name[(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
PubChem CID169169355
Molecular FormulaC17H21F4N3O2
Molecular Weight375.37 g/mol
Exact Mass375.16
IUPAC Name[(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC[C@H]1CC1(F)F
InChIInChI=1S/C17H21F4N3O2/c1-24-14(22-15(25)26-8-11-7-17(11,20)21)12(9-3-2-4-9)13(23-24)10-5-16(18,19)6-10/h9-11H,2-8H2,1H3,(H,22,25)/t11-/m1/s1
InChIKeyMUOXVSUJKRYDEB-LLVKDONJSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The IUPAC name of [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate (CID 169169355) is [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The canonical SMILES for [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate is Cn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)OC[C@H]1CC1(F)F.
What is the InChIKey of [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
The InChIKey is MUOXVSUJKRYDEB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21F4N3O2/c1-24-14(22-15(25)26-8-11-7-17(11,20)21)12(9-3-2-4-9)13(23-24)10-5-16(18,19)6-10/h9-11H,2-8H2,1H3,(H,22,25)/t11-/m1/s1.
What are the key properties of [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate?
[(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate has a molecular weight of 375.37 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluorocyclopropyl]methyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).