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

C20H21N3O4 — CID 123321223

IUPACphenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate
SMILESCC(C)(O)COc1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O4/c1-20(2,25)14-26-18-13-17(23(22-18)15-9-5-3-6-10-15)21-19(24)27-16-11-7-4-8-12-16/h3-13,25H,14H2,1-2H3,(H,21,24)
InChIKeyJCRHUYIQIMVXPI-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.63
Rot. Bonds6

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

phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate (PubChem CID 123321223) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate
PubChem CID123321223
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namephenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate
SMILESCC(C)(O)COc1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O4/c1-20(2,25)14-26-18-13-17(23(22-18)15-9-5-3-6-10-15)21-19(24)27-16-11-7-4-8-12-16/h3-13,25H,14H2,1-2H3,(H,21,24)
InChIKeyJCRHUYIQIMVXPI-UHFFFAOYSA-N
XLogP3.63
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate
CID 174715191
phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
CID 66876742
(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 67091124
phenyl N-[3-tert-butyl-1-(1-methoxy-6-methylpyridin-1-ium-3-yl)pyrazol-5-yl]carbamate
CID 142204990
phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate
CID 123305303
phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
CID 66876623
2-[3-tert-butyl-5-(phenoxycarbonylamino)pyrazol-1-yl]acetic acid
CID 90915327
phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189356
[4-chloro-3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamic acid
CID 118128874
phenyl N-[3-tert-butyl-1-[3-[2-[(2S)-oxan-2-yl]oxyethoxy]phenyl]pyrazol-5-yl]carbamate
CID 129390790
phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189178
phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
CID 118148426

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate (CID 123321223) is phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate is CC(C)(O)COc1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is JCRHUYIQIMVXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-20(2,25)14-26-18-13-17(23(22-18)15-9-5-3-6-10-15)21-19(24)27-16-11-7-4-8-12-16/h3-13,25H,14H2,1-2H3,(H,21,24).
What are the key properties of phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate?
phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 367.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 123321223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).