phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate

C20H19F2N3O2 — CID 66876174

IUPACphenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate
SMILESCC(CF)(CF)c1cccc(N(C(=O)Oc2ccccc2)c2ccn[nH]2)c1
InChIInChI=1S/C20H19F2N3O2/c1-20(13-21,14-22)15-6-5-7-16(12-15)25(18-10-11-23-24-18)19(26)27-17-8-3-2-4-9-17/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyLPTFAHXZFOIJLC-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.94
Rot. Bonds6

About phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate

phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate (PubChem CID 66876174) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate
PubChem CID66876174
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namephenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate
SMILESCC(CF)(CF)c1cccc(N(C(=O)Oc2ccccc2)c2ccn[nH]2)c1
InChIInChI=1S/C20H19F2N3O2/c1-20(13-21,14-22)15-6-5-7-16(12-15)25(18-10-11-23-24-18)19(26)27-17-8-3-2-4-9-17/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyLPTFAHXZFOIJLC-UHFFFAOYSA-N
XLogP4.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate?
The IUPAC name of phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate (CID 66876174) is phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate?
The canonical SMILES for phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate is CC(CF)(CF)c1cccc(N(C(=O)Oc2ccccc2)c2ccn[nH]2)c1.
What is the InChIKey of phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate?
The InChIKey is LPTFAHXZFOIJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-20(13-21,14-22)15-6-5-7-16(12-15)25(18-10-11-23-24-18)19(26)27-17-8-3-2-4-9-17/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate?
phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate has a molecular weight of 371.39 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1,3-difluoro-2-methylpropan-2-yl)phenyl]-N-(1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 66876174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).