5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H26F3N5O2 — CID 155883859

IUPAC5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2N2CCCC2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C25H26F3N5O2/c1-15-19(23(34)30-17-11-5-6-12-18(17)32-13-7-8-14-32)24(35)33-22(29-15)20(16-9-3-2-4-10-16)21(31-33)25(26,27)28/h2-6,9-12,20-22,29,31H,7-8,13-14H2,1H3,(H,30,34)
InChIKeyFIRMUYDAWAYYKH-UHFFFAOYSA-N
MW485.51 g/mol
LogP3.49
Rot. Bonds4

About 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 155883859) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID155883859
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2N2CCCC2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C25H26F3N5O2/c1-15-19(23(34)30-17-11-5-6-12-18(17)32-13-7-8-14-32)24(35)33-22(29-15)20(16-9-3-2-4-10-16)21(31-33)25(26,27)28/h2-6,9-12,20-22,29,31H,7-8,13-14H2,1H3,(H,30,34)
InChIKeyFIRMUYDAWAYYKH-UHFFFAOYSA-N
XLogP3.49
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide 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

N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
2,2,2-trichloro-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 890592
2-(2-methoxyethylamino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 78913422
2-(2-chlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 53313394
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
2-(azetidin-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 64611833

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 155883859) is 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2N2CCCC2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FIRMUYDAWAYYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-15-19(23(34)30-17-11-5-6-12-18(17)32-13-7-8-14-32)24(35)33-22(29-15)20(16-9-3-2-4-10-16)21(31-33)25(26,27)28/h2-6,9-12,20-22,29,31H,7-8,13-14H2,1H3,(H,30,34).
What are the key properties of 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 155883859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).