1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

C14H20F3N5O2 — CID 95767117

IUPAC1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESCc1nn(C)cc1[C@@H](C)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H20F3N5O2/c1-8(10-6-21(3)20-9(10)2)18-13(24)19-11-4-5-22(12(11)23)7-14(15,16)17/h6,8,11H,4-5,7H2,1-3H3,(H2,18,19,24)/t8-,11+/m1/s1
InChIKeyOQLIKKSUAMQGIF-KCJUWKMLSA-N
MW347.34 g/mol
LogP1.25
Rot. Bonds4

About 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (PubChem CID 95767117) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
PubChem CID95767117
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC Name1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESCc1nn(C)cc1[C@@H](C)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H20F3N5O2/c1-8(10-6-21(3)20-9(10)2)18-13(24)19-11-4-5-22(12(11)23)7-14(15,16)17/h6,8,11H,4-5,7H2,1-3H3,(H2,18,19,24)/t8-,11+/m1/s1
InChIKeyOQLIKKSUAMQGIF-KCJUWKMLSA-N
XLogP1.25
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (CID 95767117) is 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The InChIKey is OQLIKKSUAMQGIF-KCJUWKMLSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-8(10-6-21(3)20-9(10)2)18-13(24)19-11-4-5-22(12(11)23)7-14(15,16)17/h6,8,11H,4-5,7H2,1-3H3,(H2,18,19,24)/t8-,11+/m1/s1.
What are the key properties of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea has a molecular weight of 347.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 95767117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).