1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea

C12H17FN4O2 — CID 52991200

IUPAC1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
SMILESO=C(NCC(O)c1ccccc1F)NC1CNNC1
InChIInChI=1S/C12H17FN4O2/c13-10-4-2-1-3-9(10)11(18)7-14-12(19)17-8-5-15-16-6-8/h1-4,8,11,15-16,18H,5-7H2,(H2,14,17,19)
InChIKeyHROBLJMGQYGEHM-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.37
Rot. Bonds4

About 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea (PubChem CID 52991200) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
PubChem CID52991200
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea
SMILESO=C(NCC(O)c1ccccc1F)NC1CNNC1
InChIInChI=1S/C12H17FN4O2/c13-10-4-2-1-3-9(10)11(18)7-14-12(19)17-8-5-15-16-6-8/h1-4,8,11,15-16,18H,5-7H2,(H2,14,17,19)
InChIKeyHROBLJMGQYGEHM-UHFFFAOYSA-N
XLogP-0.37
TPSA85.42 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea 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-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95774853
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111115269
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124589604
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111969990
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea?
The IUPAC name of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea (CID 52991200) is 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea?
The canonical SMILES for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea is O=C(NCC(O)c1ccccc1F)NC1CNNC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea?
The InChIKey is HROBLJMGQYGEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-10-4-2-1-3-9(10)11(18)7-14-12(19)17-8-5-15-16-6-8/h1-4,8,11,15-16,18H,5-7H2,(H2,14,17,19).
What are the key properties of 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea?
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea has a molecular weight of 268.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyrazolidin-4-ylurea is sourced from PubChem (CID 52991200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).