1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea

C24H26N4O3 — CID 90169144

IUPAC1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea
SMILESCC1(C)C[C@@H](O)[C@H](NC(=O)Nc2c3c(nn2-c2ccccc2)COC3)c2ccccc21
InChIInChI=1S/C24H26N4O3/c1-24(2)12-20(29)21(16-10-6-7-11-18(16)24)25-23(30)26-22-17-13-31-14-19(17)27-28(22)15-8-4-3-5-9-15/h3-11,20-21,29H,12-14H2,1-2H3,(H2,25,26,30)/t20-,21-/m1/s1
InChIKeyUBWYEMDJGPPIPP-NHCUHLMSSA-N
MW418.50 g/mol
LogP3.81
Rot. Bonds3

About 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea

1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea (PubChem CID 90169144) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea
PubChem CID90169144
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea
SMILESCC1(C)C[C@@H](O)[C@H](NC(=O)Nc2c3c(nn2-c2ccccc2)COC3)c2ccccc21
InChIInChI=1S/C24H26N4O3/c1-24(2)12-20(29)21(16-10-6-7-11-18(16)24)25-23(30)26-22-17-13-31-14-19(17)27-28(22)15-8-4-3-5-9-15/h3-11,20-21,29H,12-14H2,1-2H3,(H2,25,26,30)/t20-,21-/m1/s1
InChIKeyUBWYEMDJGPPIPP-NHCUHLMSSA-N
XLogP3.81
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-(dimethylamino)ethoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-(2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)urea
CID 123797032
1-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
CID 163745333
1-(2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 123327662
1-[(1R,2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 90169258
1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(5-methyl-2-phenyl-3-pyridinyl)urea
CID 137422990
1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 122658049
1-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 122658048
ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea
CID 143251152
1-[(2S,3R)-2-hydroxy-3-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 139318983
1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[5-methyl-6-(6-methyl-3-pyridinyl)-2-phenyl-3-pyridinyl]urea
CID 137422971
1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl]-3-[4-methyl-3-[[(2R)-4-methylmorpholin-2-yl]methoxy]-1-phenylpyrazol-5-yl]urea
CID 158448195
1-[(3R)-3-hydroxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)urea
CID 122657977

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea (CID 90169144) is 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea is CC1(C)C[C@@H](O)[C@H](NC(=O)Nc2c3c(nn2-c2ccccc2)COC3)c2ccccc21.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea?
The InChIKey is UBWYEMDJGPPIPP-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(2)12-20(29)21(16-10-6-7-11-18(16)24)25-23(30)26-22-17-13-31-14-19(17)27-28(22)15-8-4-3-5-9-15/h3-11,20-21,29H,12-14H2,1-2H3,(H2,25,26,30)/t20-,21-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea?
1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea has a molecular weight of 418.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea is sourced from PubChem (CID 90169144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).