3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

C20H25F3N4O — CID 46968211

IUPAC3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCC(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H25F3N4O/c1-15-12-18(20(21,22)23)25-27(15)11-8-19(28)24-13-16-4-6-17(7-5-16)14-26-9-2-3-10-26/h4-7,12H,2-3,8-11,13-14H2,1H3,(H,24,28)
InChIKeyKECVAVZTBJXFNI-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.51
Rot. Bonds7

About 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 46968211) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID46968211
Molecular FormulaC20H25F3N4O
Molecular Weight394.44 g/mol
Exact Mass394.20
IUPAC Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESCc1cc(C(F)(F)F)nn1CCC(=O)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H25F3N4O/c1-15-12-18(20(21,22)23)25-27(15)11-8-19(28)24-13-16-4-6-17(7-5-16)14-26-9-2-3-10-26/h4-7,12H,2-3,8-11,13-14H2,1H3,(H,24,28)
InChIKeyKECVAVZTBJXFNI-UHFFFAOYSA-N
XLogP3.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide 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

N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19563906
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566096
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19394631
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563668
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566139
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563629
N-(1-methylpyrazol-3-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563695
4,4,4-trifluoro-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 91780010
4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate
CID 5087530

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (CID 46968211) is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is Cc1cc(C(F)(F)F)nn1CCC(=O)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is KECVAVZTBJXFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-15-12-18(20(21,22)23)25-27(15)11-8-19(28)24-13-16-4-6-17(7-5-16)14-26-9-2-3-10-26/h4-7,12H,2-3,8-11,13-14H2,1H3,(H,24,28).
What are the key properties of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 394.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46968211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).