phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate

C17H14F2N4O2 — CID 66876287

IUPACphenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate
SMILESCC(F)(F)c1cc(NC(=O)Oc2ccccc2)n(-c2cccnc2)n1
InChIInChI=1S/C17H14F2N4O2/c1-17(18,19)14-10-15(23(22-14)12-6-5-9-20-11-12)21-16(24)25-13-7-3-2-4-8-13/h2-11H,1H3,(H,21,24)
InChIKeyNJRWCIQVDNWCNM-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.99
Rot. Bonds4

About phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate

phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate (PubChem CID 66876287) has the molecular formula C17H14F2N4O2 and a molecular weight of 344.32 g/mol. Its IUPAC name is phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate
PubChem CID66876287
Molecular FormulaC17H14F2N4O2
Molecular Weight344.32 g/mol
Exact Mass344.11
IUPAC Namephenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate
SMILESCC(F)(F)c1cc(NC(=O)Oc2ccccc2)n(-c2cccnc2)n1
InChIInChI=1S/C17H14F2N4O2/c1-17(18,19)14-10-15(23(22-14)12-6-5-9-20-11-12)21-16(24)25-13-7-3-2-4-8-13/h2-11H,1H3,(H,21,24)
InChIKeyNJRWCIQVDNWCNM-UHFFFAOYSA-N
XLogP3.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate (CID 66876287) is phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate is CC(F)(F)c1cc(NC(=O)Oc2ccccc2)n(-c2cccnc2)n1.
What is the InChIKey of phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate?
The InChIKey is NJRWCIQVDNWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2/c1-17(18,19)14-10-15(23(22-14)12-6-5-9-20-11-12)21-16(24)25-13-7-3-2-4-8-13/h2-11H,1H3,(H,21,24).
What are the key properties of phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate?
phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate has a molecular weight of 344.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1,1-difluoroethyl)-1-pyridin-3-ylpyrazol-5-yl]carbamate is sourced from PubChem (CID 66876287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).