[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea

C14H18N4O3 — CID 71041411

IUPAC[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
SMILESCc1c(OC[C@H](C)O)nn(-c2ccccc2)c1NC(N)=O
InChIInChI=1S/C14H18N4O3/c1-9(19)8-21-13-10(2)12(16-14(15)20)18(17-13)11-6-4-3-5-7-11/h3-7,9,19H,8H2,1-2H3,(H3,15,16,20)/t9-/m0/s1
InChIKeyXEMWGMCVWAACNF-VIFPVBQESA-N
MW290.32 g/mol
LogP1.43
Rot. Bonds5

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

[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea (PubChem CID 71041411) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
PubChem CID71041411
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
SMILESCc1c(OC[C@H](C)O)nn(-c2ccccc2)c1NC(N)=O
InChIInChI=1S/C14H18N4O3/c1-9(19)8-21-13-10(2)12(16-14(15)20)18(17-13)11-6-4-3-5-7-11/h3-7,9,19H,8H2,1-2H3,(H3,15,16,20)/t9-/m0/s1
InChIKeyXEMWGMCVWAACNF-VIFPVBQESA-N
XLogP1.43
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189178
1-[3-[(2S)-2-hydroxy-3-methoxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-methylurea
CID 126548143
[4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-1-phenylpyrazol-5-yl]urea
CID 144629265
(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol
CID 144629233
phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189356
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
[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 139318982
tert-butyl 2-[[5-(carbamoylamino)-4-methyl-1-phenylpyrazol-3-yl]oxymethyl]morpholine-4-carboxylate
CID 144629328
phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 118128540
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473
tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 131749930
4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxybutanal
CID 145228971

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea?
The IUPAC name of [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea (CID 71041411) is [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea is Cc1c(OC[C@H](C)O)nn(-c2ccccc2)c1NC(N)=O.
What is the InChIKey of [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea?
The InChIKey is XEMWGMCVWAACNF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(19)8-21-13-10(2)12(16-14(15)20)18(17-13)11-6-4-3-5-7-11/h3-7,9,19H,8H2,1-2H3,(H3,15,16,20)/t9-/m0/s1.
What are the key properties of [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea?
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea has a molecular weight of 290.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 71041411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).