2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol

C12H20F3N5O — CID 123345500

IUPAC2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
SMILESCNNc1c(C)c(C(F)(F)F)nn1C1CCN(CCO)C1
InChIInChI=1S/C12H20F3N5O/c1-8-10(12(13,14)15)18-20(11(8)17-16-2)9-3-4-19(7-9)5-6-21/h9,16-17,21H,3-7H2,1-2H3
InChIKeyZWBNYBIGDPIBHJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.00
Rot. Bonds5

About 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol

2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol (PubChem CID 123345500) has the molecular formula C12H20F3N5O and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
PubChem CID123345500
Molecular FormulaC12H20F3N5O
Molecular Weight307.32 g/mol
Exact Mass307.16
IUPAC Name2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
SMILESCNNc1c(C)c(C(F)(F)F)nn1C1CCN(CCO)C1
InChIInChI=1S/C12H20F3N5O/c1-8-10(12(13,14)15)18-20(11(8)17-16-2)9-3-4-19(7-9)5-6-21/h9,16-17,21H,3-7H2,1-2H3
InChIKeyZWBNYBIGDPIBHJ-UHFFFAOYSA-N
XLogP1.00
TPSA65.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(Aminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478502
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 107480230
2-[[4-[(Tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107481372
2-[2,2-Difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 107481385
2-[[4-[(Cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107481397
2-[2,2-Difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 107481446
2-[2,2-Difluoroethyl-[1,3-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-yl]amino]ethanol
CID 107481462
2-[2,2-Difluoroethyl-[1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-yl]amino]ethanol
CID 107481478
2-[2,2-Difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 107481485
2-[[4-(Ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481511
2-[[4-[(Cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481519
2-[[1,3-Dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481553

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol (CID 123345500) is 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol is CNNc1c(C)c(C(F)(F)F)nn1C1CCN(CCO)C1.
What is the InChIKey of 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The InChIKey is ZWBNYBIGDPIBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5O/c1-8-10(12(13,14)15)18-20(11(8)17-16-2)9-3-4-19(7-9)5-6-21/h9,16-17,21H,3-7H2,1-2H3.
What are the key properties of 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol has a molecular weight of 307.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 123345500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).