3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H18F2N4O — CID 50790751

IUPAC3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nn2c(C)c(C(=O)NCc3ccccc3F)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H18F2N4O/c1-13-20(15-7-9-17(23)10-8-15)21-25-12-18(14(2)28(21)27-13)22(29)26-11-16-5-3-4-6-19(16)24/h3-10,12H,11H2,1-2H3,(H,26,29)
InChIKeyKHNREPFRATYICT-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.22
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 50790751) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID50790751
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nn2c(C)c(C(=O)NCc3ccccc3F)cnc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H18F2N4O/c1-13-20(15-7-9-17(23)10-8-15)21-25-12-18(14(2)28(21)27-13)22(29)26-11-16-5-3-4-6-19(16)24/h3-10,12H,11H2,1-2H3,(H,26,29)
InChIKeyKHNREPFRATYICT-UHFFFAOYSA-N
XLogP4.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 50790679
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 50790806
3-(4-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 45496385
N-[(4-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943397
N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943405
N-[(2-fluorophenyl)methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080214
2,7-dimethyl-3-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943412
2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943415
4-amino-N-[(2-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143993
2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide
CID 23604300
2,7-dimethyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 46338373

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 50790751) is 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nn2c(C)c(C(=O)NCc3ccccc3F)cnc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KHNREPFRATYICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c1-13-20(15-7-9-17(23)10-8-15)21-25-12-18(14(2)28(21)27-13)22(29)26-11-16-5-3-4-6-19(16)24/h3-10,12H,11H2,1-2H3,(H,26,29).
What are the key properties of 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 50790751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).