(4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol

C25H32N4O3 — CID 144629235

IUPAC(4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
SMILESCC1(C)CC(O)Cc2cc(CO)ccc21.Cc1nn(-c2ccccc2)c(NC(N)=O)c1C
InChIInChI=1S/C13H18O2.C12H14N4O/c1-13(2)7-11(15)6-10-5-9(8-14)3-4-12(10)13;1-8-9(2)15-16(11(8)14-12(13)17)10-6-4-3-5-7-10/h3-5,11,14-15H,6-8H2,1-2H3;3-7H,1-2H3,(H3,13,14,17)
InChIKeyNZKUSTYGVRPUSS-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.74
Rot. Bonds3

About (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol

(4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol (PubChem CID 144629235) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
PubChem CID144629235
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name(4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
SMILESCC1(C)CC(O)Cc2cc(CO)ccc21.Cc1nn(-c2ccccc2)c(NC(N)=O)c1C
InChIInChI=1S/C13H18O2.C12H14N4O/c1-13(2)7-11(15)6-10-5-9(8-14)3-4-12(10)13;1-8-9(2)15-16(11(8)14-12(13)17)10-6-4-3-5-7-10/h3-5,11,14-15H,6-8H2,1-2H3;3-7H,1-2H3,(H3,13,14,17)
InChIKeyNZKUSTYGVRPUSS-UHFFFAOYSA-N
XLogP3.74
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
CID 144629236
(2R)-6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 144629163
4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;(1-methyl-3-phenylpyrazol-5-yl)urea
CID 144629226
1-(4,5-dimethyl-2-phenylpyrazol-3-yl)-3-[(1R,3E,5Z,10R)-10-hydroxy-4-(hydroxymethyl)-8,8-dimethyl-7-methylidenecyclodeca-3,5-dien-1-yl]urea
CID 122665130
(3-ethoxy-4-methyl-1-phenylpyrazol-5-yl)urea;spiro[1,2-dihydroindene-3,1'-cyclopropane]-2-ol
CID 144629233
[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea
CID 123257754
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;methanamine;N-[4-methyl-3-(morpholin-2-ylmethoxy)-1-phenylpyrazol-5-yl]formamide
CID 144629271
(3S)-2-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55941287
(2S)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 71881537
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 134013955
tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate
CID 118408650

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The IUPAC name of (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol (CID 144629235) is (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol is CC1(C)CC(O)Cc2cc(CO)ccc21.Cc1nn(-c2ccccc2)c(NC(N)=O)c1C.
What is the InChIKey of (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
The InChIKey is NZKUSTYGVRPUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C12H14N4O/c1-13(2)7-11(15)6-10-5-9(8-14)3-4-12(10)13;1-8-9(2)15-16(11(8)14-12(13)17)10-6-4-3-5-7-10/h3-5,11,14-15H,6-8H2,1-2H3;3-7H,1-2H3,(H3,13,14,17).
What are the key properties of (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol?
(4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol has a molecular weight of 436.56 g/mol, XLogP of 3.74, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-2-phenylpyrazol-3-yl)urea;7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 144629235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).