1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

C19H24N4O2 — CID 75383144

IUPAC1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESO=C(NCc1ccccc1OC1CCC1)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C19H24N4O2/c24-19(22-15-8-9-17-14(10-15)12-21-23-17)20-11-13-4-1-2-7-18(13)25-16-5-3-6-16/h1-2,4,7,12,15-16H,3,5-6,8-11H2,(H,21,23)(H2,20,22,24)
InChIKeyBBFVCPUUCFOAKN-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.70
Rot. Bonds5

About 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (PubChem CID 75383144) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
PubChem CID75383144
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESO=C(NCc1ccccc1OC1CCC1)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C19H24N4O2/c24-19(22-15-8-9-17-14(10-15)12-21-23-17)20-11-13-4-1-2-7-18(13)25-16-5-3-6-16/h1-2,4,7,12,15-16H,3,5-6,8-11H2,(H,21,23)(H2,20,22,24)
InChIKeyBBFVCPUUCFOAKN-UHFFFAOYSA-N
XLogP2.70
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (CID 75383144) is 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The canonical SMILES for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is O=C(NCc1ccccc1OC1CCC1)NC1CCc2[nH]ncc2C1.
What is the InChIKey of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The InChIKey is BBFVCPUUCFOAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(22-15-8-9-17-14(10-15)12-21-23-17)20-11-13-4-1-2-7-18(13)25-16-5-3-6-16/h1-2,4,7,12,15-16H,3,5-6,8-11H2,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea has a molecular weight of 340.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is sourced from PubChem (CID 75383144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).