1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea

C17H22FN5O2 — CID 56793041

IUPAC1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C17H22FN5O2/c18-15-3-1-2-14(12-15)13-19-17(24)20-16-4-5-23(21-16)7-6-22-8-10-25-11-9-22/h1-5,12H,6-11,13H2,(H2,19,20,21,24)
InChIKeyPRAWASCQQAKRQV-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.68
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea

1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea (PubChem CID 56793041) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
PubChem CID56793041
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1cccc(F)c1)Nc1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C17H22FN5O2/c18-15-3-1-2-14(12-15)13-19-17(24)20-16-4-5-23(21-16)7-6-22-8-10-25-11-9-22/h1-5,12H,6-11,13H2,(H2,19,20,21,24)
InChIKeyPRAWASCQQAKRQV-UHFFFAOYSA-N
XLogP1.68
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-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-[(3-fluorophenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]urea;bis(2,2,2-trifluoroacetic acid)
CID 117076875
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 50792088
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
1-(5-bromofuran-2-yl)-3-[(3-fluorophenyl)methyl]urea
CID 108873105
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 78893548
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
2-[4-[2-fluoro-4-(3-morpholin-4-ylpropyl)phenyl]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 143602139

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea (CID 56793041) is 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea is O=C(NCc1cccc(F)c1)Nc1ccn(CCN2CCOCC2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
The InChIKey is PRAWASCQQAKRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c18-15-3-1-2-14(12-15)13-19-17(24)20-16-4-5-23(21-16)7-6-22-8-10-25-11-9-22/h1-5,12H,6-11,13H2,(H2,19,20,21,24).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea?
1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea has a molecular weight of 347.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 56793041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).