1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea

C17H18N4O — CID 24768211

IUPAC1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)Nc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C17H18N4O/c1-11-6-8-13(9-7-11)12(2)19-17(22)20-15-4-3-5-16-14(15)10-18-21-16/h3-10,12H,1-2H3,(H,18,21)(H2,19,20,22)/t12-/m1/s1
InChIKeySHOUDGQMQHLAFL-GFCCVEGCSA-N
MW294.36 g/mol
LogP3.75
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea

1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea (PubChem CID 24768211) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea
PubChem CID24768211
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)Nc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C17H18N4O/c1-11-6-8-13(9-7-11)12(2)19-17(22)20-15-4-3-5-16-14(15)10-18-21-16/h3-10,12H,1-2H3,(H,18,21)(H2,19,20,22)/t12-/m1/s1
InChIKeySHOUDGQMQHLAFL-GFCCVEGCSA-N
XLogP3.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea with MolForge

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Related Compounds

Abt 102
CID 11256560
Abt-116
CID 46890602
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
A-795614
CID 11451659
1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16748249

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea (CID 24768211) is 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea is Cc1ccc([C@@H](C)NC(=O)Nc2cccc3[nH]ncc23)cc1.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea?
The InChIKey is SHOUDGQMQHLAFL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-6-8-13(9-7-11)12(2)19-17(22)20-15-4-3-5-16-14(15)10-18-21-16/h3-10,12H,1-2H3,(H,18,21)(H2,19,20,22)/t12-/m1/s1.
What are the key properties of 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea?
1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea has a molecular weight of 294.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 24768211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).