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

C17H18N4O — CID 24768210

IUPAC1-(1H-indazol-4-yl)-3-[(1S)-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-/m0/s1
InChIKeySHOUDGQMQHLAFL-LBPRGKRZSA-N
MW294.36 g/mol
LogP3.75
Rot. Bonds3

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

1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea (PubChem CID 24768210) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea
PubChem CID24768210
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-(1H-indazol-4-yl)-3-[(1S)-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-/m0/s1
InChIKeySHOUDGQMQHLAFL-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea (CID 24768210) is 1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[(1S)-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-[(1S)-1-(4-methylphenyl)ethyl]urea?
The InChIKey is SHOUDGQMQHLAFL-LBPRGKRZSA-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-/m0/s1.
What are the key properties of 1-(1H-indazol-4-yl)-3-[(1S)-1-(4-methylphenyl)ethyl]urea?
1-(1H-indazol-4-yl)-3-[(1S)-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-[(1S)-1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 24768210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).