phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate

C18H17N3O3 — CID 90168580

IUPACphenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
SMILESCOc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1C
InChIInChI=1S/C18H17N3O3/c1-13-16(19-18(22)24-15-11-7-4-8-12-15)21(20-17(13)23-2)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,19,22)
InChIKeyFKNPHOBWJVDWTL-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.80
Rot. Bonds4

About phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate

phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate (PubChem CID 90168580) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
PubChem CID90168580
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namephenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
SMILESCOc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1C
InChIInChI=1S/C18H17N3O3/c1-13-16(19-18(22)24-15-11-7-4-8-12-15)21(20-17(13)23-2)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,19,22)
InChIKeyFKNPHOBWJVDWTL-UHFFFAOYSA-N
XLogP3.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 118128540
phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189178
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473
phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189356
phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
CID 118148426
phenyl N-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]carbamate
CID 89189120
phenyl N-[4-bromo-3-(3-hydroxybutan-2-yloxy)-1-phenylpyrazol-5-yl]carbamate
CID 140947553
phenyl 3-methyl-5-[4-methyl-5-(phenoxycarbonylamino)-1-phenylpyrazol-3-yl]imidazol-3-ium-1-carboxylate
CID 90157201
phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 167377695
phenyl N-[[4-methyl-3-(methylcarbamoyl)-1-phenylpyrazol-5-yl]amino]carbamate
CID 174766296
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
CID 67824669

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate?
The IUPAC name of phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate (CID 90168580) is phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate is COc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1C.
What is the InChIKey of phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate?
The InChIKey is FKNPHOBWJVDWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-13-16(19-18(22)24-15-11-7-4-8-12-15)21(20-17(13)23-2)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,19,22).
What are the key properties of phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate?
phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate is sourced from PubChem (CID 90168580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).