(1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone

C12H17F2N3O — CID 165154405

IUPAC(1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCC(F)(F)C2)cn1
InChIInChI=1S/C12H17F2N3O/c1-11(2,3)17-7-9(6-15-17)10(18)16-5-4-12(13,14)8-16/h6-7H,4-5,8H2,1-3H3
InChIKeyIBAOMZIZUNVXAL-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.12
Rot. Bonds1

About (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone

(1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 165154405) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID165154405
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name(1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCC(F)(F)C2)cn1
InChIInChI=1S/C12H17F2N3O/c1-11(2,3)17-7-9(6-15-17)10(18)16-5-4-12(13,14)8-16/h6-7H,4-5,8H2,1-3H3
InChIKeyIBAOMZIZUNVXAL-UHFFFAOYSA-N
XLogP2.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone 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

[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](1-methyl-1H-pyrazol-4-yl)methanone
CID 19583899
N-[(1S)-1-cyclopropylethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 40143640
[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 40646463
1-methyl-N,N-dipropylpyrazole-4-carboxamide
CID 51073390
1-cyclohexyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 56786527
(1-Cyclohexylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
CID 71931829
1-tert-butyl-N-(2-cyanoethyl)-N-methylpyrazole-4-carboxamide
CID 72150270
1-tert-butyl-N-(2-ethoxyethyl)-N-methylpyrazole-4-carboxamide
CID 75441125
(3-Fluoroazetidin-1-yl)(1-methyl-1H-pyrazol-4-yl)methanone
CID 58446859
N-(2-Fluoroethyl)-N,1-dimethyl-1H-pyrazole-4-carboxamide
CID 58446960
1-(3,3-Difluoropyrrolidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 117883326
(1-methyl-1H-pyrazol-4-yl)(4-(trifluoromethyl)piperidin-1-yl)methanone
CID 132371775

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone (CID 165154405) is (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone is CC(C)(C)n1cc(C(=O)N2CCC(F)(F)C2)cn1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is IBAOMZIZUNVXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-11(2,3)17-7-9(6-15-17)10(18)16-5-4-12(13,14)8-16/h6-7H,4-5,8H2,1-3H3.
What are the key properties of (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone?
(1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 257.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl)-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 165154405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).