1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea

C13H15F3N4O3 — CID 94050588

IUPAC1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
SMILESCc1ccc([C@](O)(CCNC(=O)Nc2cn[nH]c2)C(F)(F)F)o1
InChIInChI=1S/C13H15F3N4O3/c1-8-2-3-10(23-8)12(22,13(14,15)16)4-5-17-11(21)20-9-6-18-19-7-9/h2-3,6-7,22H,4-5H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m1/s1
InChIKeyRDXXZESMTGTLDG-GFCCVEGCSA-N
MW332.28 g/mol
LogP2.27
Rot. Bonds5

About 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea

1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea (PubChem CID 94050588) has the molecular formula C13H15F3N4O3 and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
PubChem CID94050588
Molecular FormulaC13H15F3N4O3
Molecular Weight332.28 g/mol
Exact Mass332.11
IUPAC Name1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea
SMILESCc1ccc([C@](O)(CCNC(=O)Nc2cn[nH]c2)C(F)(F)F)o1
InChIInChI=1S/C13H15F3N4O3/c1-8-2-3-10(23-8)12(22,13(14,15)16)4-5-17-11(21)20-9-6-18-19-7-9/h2-3,6-7,22H,4-5H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m1/s1
InChIKeyRDXXZESMTGTLDG-GFCCVEGCSA-N
XLogP2.27
TPSA103.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]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

N-[4-[1-[[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]carbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 43061381
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]pyrrolidine-1-carboxamide
CID 94021046
N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]cyclobutanecarboxamide
CID 94144374
2-ethoxy-N-[2-oxo-2-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]amino]ethyl]benzamide
CID 38789086
4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 110883224
(2S)-2-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperidine-1-carboxamide
CID 94050611
(2S)-2-methyl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperidine-1-carboxamide
CID 94050612
6-(1H-pyrazol-4-ylcarbamoylamino)hexanoic acid
CID 61209750
1-[(5-methylthiophen-2-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47248492
4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide
CID 110883173
4-(2-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide
CID 42954471
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea?
The IUPAC name of 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea (CID 94050588) is 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea?
The canonical SMILES for 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea is Cc1ccc([C@](O)(CCNC(=O)Nc2cn[nH]c2)C(F)(F)F)o1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea?
The InChIKey is RDXXZESMTGTLDG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F3N4O3/c1-8-2-3-10(23-8)12(22,13(14,15)16)4-5-17-11(21)20-9-6-18-19-7-9/h2-3,6-7,22H,4-5H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m1/s1.
What are the key properties of 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea?
1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea has a molecular weight of 332.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)-3-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea is sourced from PubChem (CID 94050588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).