[4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate

C20H21N3O4 — CID 174715191

IUPAC[4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate
SMILESCC(C)(O)COc1cc(-c2ccc(OC(N)=O)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O4/c1-20(2,25)13-26-18-12-17(23(22-18)15-6-4-3-5-7-15)14-8-10-16(11-9-14)27-19(21)24/h3-12,25H,13H2,1-2H3,(H2,21,24)
InChIKeyHAIQHZAHFAYPMQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.15
Rot. Bonds6

About [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate

[4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate (PubChem CID 174715191) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate
PubChem CID174715191
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name[4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate
SMILESCC(C)(O)COc1cc(-c2ccc(OC(N)=O)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C20H21N3O4/c1-20(2,25)13-26-18-12-17(23(22-18)15-6-4-3-5-7-15)14-8-10-16(11-9-14)27-19(21)24/h3-12,25H,13H2,1-2H3,(H2,21,24)
InChIKeyHAIQHZAHFAYPMQ-UHFFFAOYSA-N
XLogP3.15
TPSA99.60 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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate
CID 123321223
[2-(2-hydroxy-2-methylpropoxy)-4-pyridinyl] carbamate
CID 175372429
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
1-(4-methylphenyl)-5-(4-phenoxyphenyl)pyrazole-3-carbohydrazide
CID 23992415
1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol
CID 71041362
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
CID 150185883
(1,5-diphenylpyrazol-3-yl) formate
CID 91229839
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
2-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 71503409
ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate
CID 46901523

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate?
The IUPAC name of [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate (CID 174715191) is [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate.
What is the SMILES notation for [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate?
The canonical SMILES for [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate is CC(C)(O)COc1cc(-c2ccc(OC(N)=O)cc2)n(-c2ccccc2)n1.
What is the InChIKey of [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate?
The InChIKey is HAIQHZAHFAYPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-20(2,25)13-26-18-12-17(23(22-18)15-6-4-3-5-7-15)14-8-10-16(11-9-14)27-19(21)24/h3-12,25H,13H2,1-2H3,(H2,21,24).
What are the key properties of [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate?
[4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate has a molecular weight of 367.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]phenyl] carbamate is sourced from PubChem (CID 174715191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).