3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea

C17H18N4O — CID 70693983

IUPAC3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C17H18N4O/c1-21(10-9-13-5-3-2-4-6-13)17(22)19-15-7-8-16-14(11-15)12-18-20-16/h2-8,11-12H,9-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyDYFQIDVRXGZYCT-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.27
Rot. Bonds4

About 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea

3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea (PubChem CID 70693983) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea
PubChem CID70693983
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C17H18N4O/c1-21(10-9-13-5-3-2-4-6-13)17(22)19-15-7-8-16-14(11-15)12-18-20-16/h2-8,11-12H,9-10H2,1H3,(H,18,20)(H,19,22)
InChIKeyDYFQIDVRXGZYCT-UHFFFAOYSA-N
XLogP3.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea?
The IUPAC name of 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea (CID 70693983) is 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea is CN(CCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea?
The InChIKey is DYFQIDVRXGZYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21(10-9-13-5-3-2-4-6-13)17(22)19-15-7-8-16-14(11-15)12-18-20-16/h2-8,11-12H,9-10H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea?
3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea has a molecular weight of 294.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea is sourced from PubChem (CID 70693983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).