N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide

C16H19F3N4O2S — CID 169043719

IUPACN-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CN(Cc2ccc(C(F)(F)F)cc2)c2ccnn2C1
InChIInChI=1S/C16H19F3N4O2S/c1-26(24,25)21-8-13-10-22(15-6-7-20-23(15)11-13)9-12-2-4-14(5-3-12)16(17,18)19/h2-7,13,21H,8-11H2,1H3
InChIKeyZTGSTHBPQXSQKJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.09
Rot. Bonds5

About N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide

N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide (PubChem CID 169043719) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide
PubChem CID169043719
Molecular FormulaC16H19F3N4O2S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC NameN-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CN(Cc2ccc(C(F)(F)F)cc2)c2ccnn2C1
InChIInChI=1S/C16H19F3N4O2S/c1-26(24,25)21-8-13-10-22(15-6-7-20-23(15)11-13)9-12-2-4-14(5-3-12)16(17,18)19/h2-7,13,21H,8-11H2,1H3
InChIKeyZTGSTHBPQXSQKJ-UHFFFAOYSA-N
XLogP2.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide (CID 169043719) is N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CN(Cc2ccc(C(F)(F)F)cc2)c2ccnn2C1.
What is the InChIKey of N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide?
The InChIKey is ZTGSTHBPQXSQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-26(24,25)21-8-13-10-22(15-6-7-20-23(15)11-13)9-12-2-4-14(5-3-12)16(17,18)19/h2-7,13,21H,8-11H2,1H3.
What are the key properties of N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide?
N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 169043719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).