1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C19H26N4O2 — CID 75613660

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1cc(C)n(CC(C)CNC(=O)NC2c3ccccc3CC2O)n1
InChIInChI=1S/C19H26N4O2/c1-12(11-23-14(3)8-13(2)22-23)10-20-19(25)21-18-16-7-5-4-6-15(16)9-17(18)24/h4-8,12,17-18,24H,9-11H2,1-3H3,(H2,20,21,25)
InChIKeyKCZLSWBYYWBQOK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.09
Rot. Bonds5

About 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 75613660) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID75613660
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCc1cc(C)n(CC(C)CNC(=O)NC2c3ccccc3CC2O)n1
InChIInChI=1S/C19H26N4O2/c1-12(11-23-14(3)8-13(2)22-23)10-20-19(25)21-18-16-7-5-4-6-15(16)9-17(18)24/h4-8,12,17-18,24H,9-11H2,1-3H3,(H2,20,21,25)
InChIKeyKCZLSWBYYWBQOK-UHFFFAOYSA-N
XLogP2.09
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895956
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluoro-2,3-dihydro-1H-inden-1-yl)urea
CID 86838349
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119580
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507828
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-methyl-2,3-dihydroindole-1-carboxamide
CID 87007925
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 55929291
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124736927
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
CID 110923131
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(pyrimidin-2-ylamino)urea
CID 87007937

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 75613660) is 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is Cc1cc(C)n(CC(C)CNC(=O)NC2c3ccccc3CC2O)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is KCZLSWBYYWBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(11-23-14(3)8-13(2)22-23)10-20-19(25)21-18-16-7-5-4-6-15(16)9-17(18)24/h4-8,12,17-18,24H,9-11H2,1-3H3,(H2,20,21,25).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 342.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 75613660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).