propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

C18H18F3N3O2 — CID 54401769

IUPACpropan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCC1=Nc2ccnn2C(c2ccccc2C(F)(F)F)C1C(=O)OC(C)C
InChIInChI=1S/C18H18F3N3O2/c1-10(2)26-17(25)15-11(3)23-14-8-9-22-24(14)16(15)12-6-4-5-7-13(12)18(19,20)21/h4-10,15-16H,1-3H3
InChIKeyVNXKEJJINDQKIA-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.17
Rot. Bonds3

About propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 54401769) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID54401769
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Namepropan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCC1=Nc2ccnn2C(c2ccccc2C(F)(F)F)C1C(=O)OC(C)C
InChIInChI=1S/C18H18F3N3O2/c1-10(2)26-17(25)15-11(3)23-14-8-9-22-24(14)16(15)12-6-4-5-7-13(12)18(19,20)21/h4-10,15-16H,1-3H3
InChIKeyVNXKEJJINDQKIA-UHFFFAOYSA-N
XLogP4.17
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate 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

propan-2-yl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3854390
dipropan-2-yl (4S)-2-methyl-6-phenacyl-4-[2-(2,2,2-trifluoroethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 57068783
[7-(2,3-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 91501772
propan-2-yl (4R)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6968622
dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 1101086
methyl (2R,5S)-5-[2-(trifluoromethyl)phenyl]oxolane-2-carboxylate
CID 96581599
methyl (7R)-5-methyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 975906
7-(2-methoxyphenyl)-5-methyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 75649591
ethyl (4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6961473
ethyl 5-cyano-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-4,5-dihydropyrimidine-3-carboxylate
CID 90815769
propyl 6-(2-ethylsulfanylethyl)-3-methyl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-4-carboxylate
CID 57019697
3-O-(1-benzylpiperidin-4-yl) 5-O-ethyl 6-methyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-4,5-dihydropyrimidine-3,5-dicarboxylate
CID 57062748

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 54401769) is propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is CC1=Nc2ccnn2C(c2ccccc2C(F)(F)F)C1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is VNXKEJJINDQKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-10(2)26-17(25)15-11(3)23-14-8-9-22-24(14)16(15)12-6-4-5-7-13(12)18(19,20)21/h4-10,15-16H,1-3H3.
What are the key properties of propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 365.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-methyl-7-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 54401769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).