1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea

C12H20F2N4O2 — CID 91660292

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
SMILESCC(C)(C)[C@@H](CO)NC(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C12H20F2N4O2/c1-12(2,3)8(7-19)15-11(20)16-10-4-5-18(17-10)6-9(13)14/h4-5,8-9,19H,6-7H2,1-3H3,(H2,15,16,17,20)/t8-/m1/s1
InChIKeyYEPWKIFMSKVGIG-MRVPVSSYSA-N
MW290.31 g/mol
LogP1.68
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea

1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea (PubChem CID 91660292) has the molecular formula C12H20F2N4O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
PubChem CID91660292
Molecular FormulaC12H20F2N4O2
Molecular Weight290.31 g/mol
Exact Mass290.16
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
SMILESCC(C)(C)[C@@H](CO)NC(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C12H20F2N4O2/c1-12(2,3)8(7-19)15-11(20)16-10-4-5-18(17-10)6-9(13)14/h4-5,8-9,19H,6-7H2,1-3H3,(H2,15,16,17,20)/t8-/m1/s1
InChIKeyYEPWKIFMSKVGIG-MRVPVSSYSA-N
XLogP1.68
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-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

Related Compounds

3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75502918
1-[1-(2-cyanoethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 91647871
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 95788724
1-Cyclopropyl-1-(2-hydroxy-2-methylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 132298255
1-[1-(2-Hydroxyethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethylsulfanyl)urea
CID 21279763
1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 178134707
N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71976482
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 72106043
1-Cyclohexyl-1-(2-hydroxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 75477561
2,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]morpholine-4-carboxamide
CID 75499428
1-(2-Hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 75521665
1-[1-(3-Methylbutyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 86799652

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea (CID 91660292) is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea is CC(C)(C)[C@@H](CO)NC(=O)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The InChIKey is YEPWKIFMSKVGIG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20F2N4O2/c1-12(2,3)8(7-19)15-11(20)16-10-4-5-18(17-10)6-9(13)14/h4-5,8-9,19H,6-7H2,1-3H3,(H2,15,16,17,20)/t8-/m1/s1.
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea has a molecular weight of 290.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea is sourced from PubChem (CID 91660292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).