5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H25F3N6O3 — CID 2983795

IUPAC5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)cc1OC
InChIInChI=1S/C22H25F3N6O3/c1-33-17-5-4-14(10-18(17)34-2)15-11-19(22(23,24)25)31-20(28-15)12-16(29-31)21(32)27-6-3-8-30-9-7-26-13-30/h4-5,7,9-10,12-13,15,19,28H,3,6,8,11H2,1-2H3,(H,27,32)
InChIKeyDMRAFMLFNLCGNI-UHFFFAOYSA-N
MW478.48 g/mol
LogP3.58
Rot. Bonds8

About 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2983795) has the molecular formula C22H25F3N6O3 and a molecular weight of 478.48 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2983795
Molecular FormulaC22H25F3N6O3
Molecular Weight478.48 g/mol
Exact Mass478.19
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)cc1OC
InChIInChI=1S/C22H25F3N6O3/c1-33-17-5-4-14(10-18(17)34-2)15-11-19(22(23,24)25)31-20(28-15)12-16(29-31)21(32)27-6-3-8-30-9-7-26-13-30/h4-5,7,9-10,12-13,15,19,28H,3,6,8,11H2,1-2H3,(H,27,32)
InChIKeyDMRAFMLFNLCGNI-UHFFFAOYSA-N
XLogP3.58
TPSA95.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-(1,3-Benzodioxol-5-YL)ethyl)-1-(2-(1H-imidazol-1-YL)-6-methylpyrimidin-4-YL)-D-prolinamide
CID 16115747
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
4-(azetidine-1-carbonyl)-N-[2-[4-(3-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288529
5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381454
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381553
7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4197086
5-(3,4-dimethoxyphenyl)-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4431057
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414844
4-(azetidine-1-carbonyl)-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414850

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2983795) is 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCCCn4ccnc4)cc3N2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DMRAFMLFNLCGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3/c1-33-17-5-4-14(10-18(17)34-2)15-11-19(22(23,24)25)31-20(28-15)12-16(29-31)21(32)27-6-3-8-30-9-7-26-13-30/h4-5,7,9-10,12-13,15,19,28H,3,6,8,11H2,1-2H3,(H,27,32).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 478.48 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2983795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).