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

C16H19F4N3O2 — CID 172633791

IUPAC(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc([C@H]2CC2(F)F)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1
InChIInChI=1S/C16H19F4N3O2/c1-23-13(21-14(24)25-9-5-15(17,18)6-9)11(8-3-2-4-8)12(22-23)10-7-16(10,19)20/h8-10H,2-7H2,1H3,(H,21,24)/t10-/m1/s1
InChIKeyVWGLIFAYVYWFLW-SNVBAGLBSA-N
MW361.34 g/mol
LogP4.16
Rot. Bonds4

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

(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate (PubChem CID 172633791) has the molecular formula C16H19F4N3O2 and a molecular weight of 361.34 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
PubChem CID172633791
Molecular FormulaC16H19F4N3O2
Molecular Weight361.34 g/mol
Exact Mass361.14
IUPAC Name(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
SMILESCn1nc([C@H]2CC2(F)F)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1
InChIInChI=1S/C16H19F4N3O2/c1-23-13(21-14(24)25-9-5-15(17,18)6-9)11(8-3-2-4-8)12(22-23)10-7-16(10,19)20/h8-10H,2-7H2,1H3,(H,21,24)/t10-/m1/s1
InChIKeyVWGLIFAYVYWFLW-SNVBAGLBSA-N
XLogP4.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 54.16
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-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate?
The IUPAC name of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate (CID 172633791) is (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate?
The canonical SMILES for (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate is Cn1nc([C@H]2CC2(F)F)c(C2CCC2)c1NC(=O)OC1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate?
The InChIKey is VWGLIFAYVYWFLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19F4N3O2/c1-23-13(21-14(24)25-9-5-15(17,18)6-9)11(8-3-2-4-8)12(22-23)10-7-16(10,19)20/h8-10H,2-7H2,1H3,(H,21,24)/t10-/m1/s1.
What are the key properties of (3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate?
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate has a molecular weight of 361.34 g/mol, XLogP of 4.16, 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-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 172633791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).