1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea

C13H19F3N4O — CID 99620513

IUPAC1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea
SMILESO=C(NCCn1cccn1)N[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)11(10-4-1-2-5-10)19-12(21)17-7-9-20-8-3-6-18-20/h3,6,8,10-11H,1-2,4-5,7,9H2,(H2,17,19,21)/t11-/m0/s1
InChIKeyMLSMCEXMGXFVIV-NSHDSACASA-N
MW304.32 g/mol
LogP2.30
Rot. Bonds5

About 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea

1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 99620513) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea
PubChem CID99620513
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea
SMILESO=C(NCCn1cccn1)N[C@@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)11(10-4-1-2-5-10)19-12(21)17-7-9-20-8-3-6-18-20/h3,6,8,10-11H,1-2,4-5,7,9H2,(H2,17,19,21)/t11-/m0/s1
InChIKeyMLSMCEXMGXFVIV-NSHDSACASA-N
XLogP2.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)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

3-cyclopropyl-2-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
CID 114188996
1-[1-(2,6-difluorophenyl)-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea
CID 86800373
1-(1-cyclopropylethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47221371
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
N-(2-pyrazol-1-ylethyl)azepane-2-carboxamide
CID 64562287
1-cyclopentyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 116507643
(2S)-4-methoxy-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 63305203
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea (CID 99620513) is 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea is O=C(NCCn1cccn1)N[C@@H](C1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is MLSMCEXMGXFVIV-NSHDSACASA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)11(10-4-1-2-5-10)19-12(21)17-7-9-20-8-3-6-18-20/h3,6,8,10-11H,1-2,4-5,7,9H2,(H2,17,19,21)/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea?
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 304.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 99620513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).