phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate

C20H21N3O4 — CID 89189178

IUPACphenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
SMILESCc1c(OC[C@H](C)O)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C20H21N3O4/c1-14(24)13-26-19-15(2)18(23(22-19)16-9-5-3-6-10-16)21-20(25)27-17-11-7-4-8-12-17/h3-12,14,24H,13H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyIYFCEIZJIZAZQC-AWEZNQCLSA-N
MW367.41 g/mol
LogP3.55
Rot. Bonds6

About phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate

phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate (PubChem CID 89189178) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
PubChem CID89189178
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namephenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
SMILESCc1c(OC[C@H](C)O)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C20H21N3O4/c1-14(24)13-26-19-15(2)18(23(22-19)16-9-5-3-6-10-16)21-20(25)27-17-11-7-4-8-12-17/h3-12,14,24H,13H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyIYFCEIZJIZAZQC-AWEZNQCLSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189356
phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 118128540
phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
CID 90168580
phenyl N-[4-bromo-3-(3-hydroxybutan-2-yloxy)-1-phenylpyrazol-5-yl]carbamate
CID 140947553
phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
CID 118148426
1-[3-[(2S)-2-hydroxy-3-methoxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-methylurea
CID 126548143
phenyl N-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]carbamate
CID 89189120
phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 167377695
phenyl 3-methyl-5-[4-methyl-5-(phenoxycarbonylamino)-1-phenylpyrazol-3-yl]imidazol-3-ium-1-carboxylate
CID 90157201
1-[(3S,4R)-4-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[3-(2-hydroxypropoxy)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 118128729
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate (CID 89189178) is phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate is Cc1c(OC[C@H](C)O)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is IYFCEIZJIZAZQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(24)13-26-19-15(2)18(23(22-19)16-9-5-3-6-10-16)21-20(25)27-17-11-7-4-8-12-17/h3-12,14,24H,13H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 367.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 89189178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).