1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

C17H16BrN5O3 — CID 56556792

IUPAC1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(Oc2cccc(Br)c2)nc1)Nc1cnn(CCO)c1
InChIInChI=1S/C17H16BrN5O3/c18-12-2-1-3-15(8-12)26-16-5-4-13(9-19-16)21-17(25)22-14-10-20-23(11-14)6-7-24/h1-5,8-11,24H,6-7H2,(H2,21,22,25)
InChIKeySODVWHOKQYZDNZ-UHFFFAOYSA-N
MW418.25 g/mol
LogP3.47
Rot. Bonds6

About 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea

1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (PubChem CID 56556792) has the molecular formula C17H16BrN5O3 and a molecular weight of 418.25 g/mol. Its IUPAC name is 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
PubChem CID56556792
Molecular FormulaC17H16BrN5O3
Molecular Weight418.25 g/mol
Exact Mass417.04
IUPAC Name1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1ccc(Oc2cccc(Br)c2)nc1)Nc1cnn(CCO)c1
InChIInChI=1S/C17H16BrN5O3/c18-12-2-1-3-15(8-12)26-16-5-4-13(9-19-16)21-17(25)22-14-10-20-23(11-14)6-7-24/h1-5,8-11,24H,6-7H2,(H2,21,22,25)
InChIKeySODVWHOKQYZDNZ-UHFFFAOYSA-N
XLogP3.47
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(3-bromophenoxy)-3-pyridinyl]-3-(pyridin-3-ylmethyl)urea
CID 52836877
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
1-(3-fluorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 51102214
1-(3-ethynylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111104602
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
N-[6-(3-bromophenoxy)-3-pyridinyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 60612803
N-[6-(3-bromophenoxy)-3-pyridinyl]-2-propylsulfonylbenzamide
CID 60613046
N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71879575
2-(3-bromophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 110279319
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 110911174

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea (CID 56556792) is 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)Nc1cnn(CCO)c1.
What is the InChIKey of 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
The InChIKey is SODVWHOKQYZDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O3/c18-12-2-1-3-15(8-12)26-16-5-4-13(9-19-16)21-17(25)22-14-10-20-23(11-14)6-7-24/h1-5,8-11,24H,6-7H2,(H2,21,22,25).
What are the key properties of 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea?
1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea has a molecular weight of 418.25 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 56556792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).