[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate

C19H25F2N3O2 — CID 44589661

IUPAC[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate
SMILESCC(C)c1cc(C(C)C)n(C[C@@H](C)OC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C19H25F2N3O2/c1-11(2)17-9-18(12(3)4)24(23-17)10-13(5)26-19(25)22-16-7-6-14(20)8-15(16)21/h6-9,11-13H,10H2,1-5H3,(H,22,25)/t13-/m1/s1
InChIKeyFJRGSSWJWAACOR-CYBMUJFWSA-N
MW365.42 g/mol
LogP5.05
Rot. Bonds6

About [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate (PubChem CID 44589661) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate
PubChem CID44589661
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate
SMILESCC(C)c1cc(C(C)C)n(C[C@@H](C)OC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C19H25F2N3O2/c1-11(2)17-9-18(12(3)4)24(23-17)10-13(5)26-19(25)22-16-7-6-14(20)8-15(16)21/h6-9,11-13H,10H2,1-5H3,(H,22,25)/t13-/m1/s1
InChIKeyFJRGSSWJWAACOR-CYBMUJFWSA-N
XLogP5.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate?
The IUPAC name of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate (CID 44589661) is [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate.
What is the SMILES notation for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate?
The canonical SMILES for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate is CC(C)c1cc(C(C)C)n(C[C@@H](C)OC(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate?
The InChIKey is FJRGSSWJWAACOR-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-11(2)17-9-18(12(3)4)24(23-17)10-13(5)26-19(25)22-16-7-6-14(20)8-15(16)21/h6-9,11-13H,10H2,1-5H3,(H,22,25)/t13-/m1/s1.
What are the key properties of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate?
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate has a molecular weight of 365.42 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]propan-2-yl] N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 44589661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).