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

C20H15FN4O — CID 24716902

IUPACN-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C20H15FN4O/c21-16-8-6-14(7-9-16)12-23-20(26)17-13-24-25-18(10-11-22-19(17)25)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,26)
InChIKeyUBILEMZBQIQSEN-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.47
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24716902) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24716902
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC NameN-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C20H15FN4O/c21-16-8-6-14(7-9-16)12-23-20(26)17-13-24-25-18(10-11-22-19(17)25)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,26)
InChIKeyUBILEMZBQIQSEN-UHFFFAOYSA-N
XLogP3.47
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716741
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852521
N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506856
7-[2-[(3,4-dichlorobenzoyl)amino]phenyl]-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171358868
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-benzyl-7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24970079
N-benzyl-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4866947
N-[2-(furan-2-yl)-2-hydroxyethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110899085
7-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873250
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889
N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55828845
N'-[2-(1H-indol-3-yl)acetyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 46490611

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24716902) is N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UBILEMZBQIQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-16-8-6-14(7-9-16)12-23-20(26)17-13-24-25-18(10-11-22-19(17)25)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24716902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).