N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25F3N6O — CID 644705

IUPACN-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C22H25F3N6O/c1-13-17(14(2)30(4)28-13)12-29(3)21(32)16-11-26-31-19(22(23,24)25)10-18(27-20(16)31)15-8-6-5-7-9-15/h5-9,11,18-19,27H,10,12H2,1-4H3
InChIKeyMAZBGIXMIDUEJD-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.17
Rot. Bonds4

About N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 644705) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID644705
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC NameN-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C22H25F3N6O/c1-13-17(14(2)30(4)28-13)12-29(3)21(32)16-11-26-31-19(22(23,24)25)10-18(27-20(16)31)15-8-6-5-7-9-15/h5-9,11,18-19,27H,10,12H2,1-4H3
InChIKeyMAZBGIXMIDUEJD-UHFFFAOYSA-N
XLogP4.17
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 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-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 644705) is N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F.
What is the InChIKey of N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MAZBGIXMIDUEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O/c1-13-17(14(2)30(4)28-13)12-29(3)21(32)16-11-26-31-19(22(23,24)25)10-18(27-20(16)31)15-8-6-5-7-9-15/h5-9,11,18-19,27H,10,12H2,1-4H3.
What are the key properties of N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 644705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).