1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C19H19FN4O2 — CID 68566254

IUPAC1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)NC(CCO)c1cccc(F)c1
InChIInChI=1S/C19H19FN4O2/c20-16-3-1-2-14(10-16)18(8-9-25)24-19(26)23-17-6-4-13(5-7-17)15-11-21-22-12-15/h1-7,10-12,18,25H,8-9H2,(H,21,22)(H2,23,24,26)
InChIKeyBNSKTIACOBJLNV-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.46
Rot. Bonds6

About 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68566254) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68566254
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)NC(CCO)c1cccc(F)c1
InChIInChI=1S/C19H19FN4O2/c20-16-3-1-2-14(10-16)18(8-9-25)24-19(26)23-17-6-4-13(5-7-17)15-11-21-22-12-15/h1-7,10-12,18,25H,8-9H2,(H,21,22)(H2,23,24,26)
InChIKeyBNSKTIACOBJLNV-UHFFFAOYSA-N
XLogP3.46
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68566254) is 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2cn[nH]c2)cc1)NC(CCO)c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is BNSKTIACOBJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-16-3-1-2-14(10-16)18(8-9-25)24-19(26)23-17-6-4-13(5-7-17)15-11-21-22-12-15/h1-7,10-12,18,25H,8-9H2,(H,21,22)(H2,23,24,26).
What are the key properties of 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 354.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68566254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).