2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride

C17H20ClF3N4O — CID 119746107

IUPAC2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H19F3N4O.ClH/c18-17(19,20)15-7-9-24(23-15)14-5-3-12(4-6-14)11-22-16(25)10-13-2-1-8-21-13;/h3-7,9,13,21H,1-2,8,10-11H2,(H,22,25);1H
InChIKeyFXWDKLYPVLAXLO-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.07
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride

2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride (PubChem CID 119746107) has the molecular formula C17H20ClF3N4O and a molecular weight of 388.82 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride
PubChem CID119746107
Molecular FormulaC17H20ClF3N4O
Molecular Weight388.82 g/mol
Exact Mass388.13
IUPAC Name2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C17H19F3N4O.ClH/c18-17(19,20)15-7-9-24(23-15)14-5-3-12(4-6-14)11-22-16(25)10-13-2-1-8-21-13;/h3-7,9,13,21H,1-2,8,10-11H2,(H,22,25);1H
InChIKeyFXWDKLYPVLAXLO-UHFFFAOYSA-N
XLogP3.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride 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

2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 119866390
3-amino-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746103
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746075
4-(methoxymethyl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120625185
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119716947
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744906
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119716948
N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730375
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride (CID 119746107) is 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride is Cl.O=C(CC1CCCN1)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride?
The InChIKey is FXWDKLYPVLAXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O.ClH/c18-17(19,20)15-7-9-24(23-15)14-5-3-12(4-6-14)11-22-16(25)10-13-2-1-8-21-13;/h3-7,9,13,21H,1-2,8,10-11H2,(H,22,25);1H.
What are the key properties of 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride?
2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119746107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).