4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

C19H18ClF3N4O — CID 71527716

IUPAC4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESCc1c(Cc2cnn3c(Cl)cc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N4O/c1-12-13(3-2-4-15(12)19(21,22)23)9-14-11-24-27-16(20)10-17(25-18(14)27)26-5-7-28-8-6-26/h2-4,10-11H,5-9H2,1H3
InChIKeyDROXDHRFPNDVLL-UHFFFAOYSA-N
MW410.83 g/mol
LogP4.14
Rot. Bonds3

About 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (PubChem CID 71527716) has the molecular formula C19H18ClF3N4O and a molecular weight of 410.83 g/mol. Its IUPAC name is 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
PubChem CID71527716
Molecular FormulaC19H18ClF3N4O
Molecular Weight410.83 g/mol
Exact Mass410.11
IUPAC Name4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
SMILESCc1c(Cc2cnn3c(Cl)cc(N4CCOCC4)nc23)cccc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N4O/c1-12-13(3-2-4-15(12)19(21,22)23)9-14-11-24-27-16(20)10-17(25-18(14)27)26-5-7-28-8-6-26/h2-4,10-11H,5-9H2,1H3
InChIKeyDROXDHRFPNDVLL-UHFFFAOYSA-N
XLogP4.14
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine 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

5,7-dichloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine
CID 86724872
3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 71270807
[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanamine
CID 134296165
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
2-(aminomethyl)-2-(hydroxymethyl)propane-1,3-diol;2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 56927663
4-[8-(1H-imidazol-5-yl)-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 137167628
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121427612
4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-8-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 121426299
6-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
CID 134296141
4-[7-bromo-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine
CID 56960542
methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate
CID 140828909
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
CID 134301992

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The IUPAC name of 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (CID 71527716) is 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.
What is the SMILES notation for 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The canonical SMILES for 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is Cc1c(Cc2cnn3c(Cl)cc(N4CCOCC4)nc23)cccc1C(F)(F)F.
What is the InChIKey of 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
The InChIKey is DROXDHRFPNDVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O/c1-12-13(3-2-4-15(12)19(21,22)23)9-14-11-24-27-16(20)10-17(25-18(14)27)26-5-7-28-8-6-26/h2-4,10-11H,5-9H2,1H3.
What are the key properties of 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?
4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine has a molecular weight of 410.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 71527716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).