7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F2N6O — CID 19327919

IUPAC7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H20F2N6O/c1-14-8-10-25-28(14)11-5-9-24-21(30)16-13-26-29-18(19(22)23)12-17(27-20(16)29)15-6-3-2-4-7-15/h2-4,6-8,10,12-13,19H,5,9,11H2,1H3,(H,24,30)
InChIKeyVIGBIIMUSHSITJ-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.66
Rot. Bonds7

About 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19327919) has the molecular formula C21H20F2N6O and a molecular weight of 410.43 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19327919
Molecular FormulaC21H20F2N6O
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H20F2N6O/c1-14-8-10-25-28(14)11-5-9-24-21(30)16-13-26-29-18(19(22)23)12-17(27-20(16)29)15-6-3-2-4-7-15/h2-4,6-8,10,12-13,19H,5,9,11H2,1H3,(H,24,30)
InChIKeyVIGBIIMUSHSITJ-UHFFFAOYSA-N
XLogP3.66
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459988
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
7-(difluoromethyl)-5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19459996
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2169020
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
7-(difluoromethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19590027
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460043
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19296631
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19327919) is 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccnn1CCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VIGBIIMUSHSITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-14-8-10-25-28(14)11-5-9-24-21(30)16-13-26-29-18(19(22)23)12-17(27-20(16)29)15-6-3-2-4-7-15/h2-4,6-8,10,12-13,19H,5,9,11H2,1H3,(H,24,30).
What are the key properties of 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19327919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).