N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H21F3N6O — CID 19328218

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnn(CCCNC(=O)c2cc3nc(-c4ccc5ccccc5c4)cc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C25H21F3N6O/c1-16-14-30-33(15-16)10-4-9-29-24(35)21-13-23-31-20(12-22(25(26,27)28)34(23)32-21)19-8-7-17-5-2-3-6-18(17)11-19/h2-3,5-8,11-15H,4,9-10H2,1H3,(H,29,35)
InChIKeyASBOOZGECRZTOV-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.89
Rot. Bonds6

About N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19328218) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19328218
Molecular FormulaC25H21F3N6O
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cnn(CCCNC(=O)c2cc3nc(-c4ccc5ccccc5c4)cc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C25H21F3N6O/c1-16-14-30-33(15-16)10-4-9-29-24(35)21-13-23-31-20(12-22(25(26,27)28)34(23)32-21)19-8-7-17-5-2-3-6-18(17)11-19/h2-3,5-8,11-15H,4,9-10H2,1H3,(H,29,35)
InChIKeyASBOOZGECRZTOV-UHFFFAOYSA-N
XLogP4.89
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-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-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19324686
N-[3-(5-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19327912
5-(4-methoxyphenyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19328224
5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449552
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19330196
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19295370
5-(3,4-dimethylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19399585
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4150353
5-(4-fluorophenyl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3122949
2-ethyl-6-[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]hexanoic acid
CID 143022780
5-(3,4-dichlorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871006
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19408661

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19328218) is N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnn(CCCNC(=O)c2cc3nc(-c4ccc5ccccc5c4)cc(C(F)(F)F)n3n2)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ASBOOZGECRZTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c1-16-14-30-33(15-16)10-4-9-29-24(35)21-13-23-31-20(12-22(25(26,27)28)34(23)32-21)19-8-7-17-5-2-3-6-18(17)11-19/h2-3,5-8,11-15H,4,9-10H2,1H3,(H,29,35).
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 478.48 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19328218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).