phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate

C21H23N3O3 — CID 66876777

IUPACphenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate
SMILESCCOC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H23N3O3/c1-4-26-21(2,3)18-15-19(24(23-18)16-11-7-5-8-12-16)22-20(25)27-17-13-9-6-10-14-17/h5-15H,4H2,1-3H3,(H,22,25)
InChIKeyMRAYCFYUGYPYCU-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.75
Rot. Bonds6

About phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate

phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate (PubChem CID 66876777) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate
PubChem CID66876777
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namephenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate
SMILESCCOC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H23N3O3/c1-4-26-21(2,3)18-15-19(24(23-18)16-11-7-5-8-12-16)22-20(25)27-17-13-9-6-10-14-17/h5-15H,4H2,1-3H3,(H,22,25)
InChIKeyMRAYCFYUGYPYCU-UHFFFAOYSA-N
XLogP4.75
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate (CID 66876777) is phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate is CCOC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is MRAYCFYUGYPYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-26-21(2,3)18-15-19(24(23-18)16-11-7-5-8-12-16)22-20(25)27-17-13-9-6-10-14-17/h5-15H,4H2,1-3H3,(H,22,25).
What are the key properties of phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate?
phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 365.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 66876777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).