1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea

C17H18N4O2 — CID 70691934

IUPAC1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyKJQBGORTXYGZGC-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.94
Rot. Bonds5

About 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea

1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 70691934) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID70691934
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyKJQBGORTXYGZGC-UHFFFAOYSA-N
XLogP2.94
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 70691934) is 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is KJQBGORTXYGZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-15-5-2-12(3-6-15)8-9-18-17(22)20-14-4-7-16-13(10-14)11-19-21-16/h2-7,10-11H,8-9H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 310.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 70691934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).