6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20ClFN4O — CID 5220896

IUPAC6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccc(F)cc3)cnn2c(C)c1Cc1cccc(Cl)c1
InChIInChI=1S/C23H20ClFN4O/c1-14-20(11-17-4-3-5-18(24)10-17)15(2)29-22(28-14)21(13-27-29)23(30)26-12-16-6-8-19(25)9-7-16/h3-10,13H,11-12H2,1-2H3,(H,26,30)
InChIKeyVOSLWSKDOVNGCH-UHFFFAOYSA-N
MW422.89 g/mol
LogP4.66
Rot. Bonds5

About 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5220896) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5220896
Molecular FormulaC23H20ClFN4O
Molecular Weight422.89 g/mol
Exact Mass422.13
IUPAC Name6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3ccc(F)cc3)cnn2c(C)c1Cc1cccc(Cl)c1
InChIInChI=1S/C23H20ClFN4O/c1-14-20(11-17-4-3-5-18(24)10-17)15(2)29-22(28-14)21(13-27-29)23(30)26-12-16-6-8-19(25)9-7-16/h3-10,13H,11-12H2,1-2H3,(H,26,30)
InChIKeyVOSLWSKDOVNGCH-UHFFFAOYSA-N
XLogP4.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5220896) is 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3ccc(F)cc3)cnn2c(C)c1Cc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VOSLWSKDOVNGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O/c1-14-20(11-17-4-3-5-18(24)10-17)15(2)29-22(28-14)21(13-27-29)23(30)26-12-16-6-8-19(25)9-7-16/h3-10,13H,11-12H2,1-2H3,(H,26,30).
What are the key properties of 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5220896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).