7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C25H24FN5O — CID 42877285

IUPAC7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C25H24FN5O/c26-20-11-5-4-10-19(20)23-16-22(25(32)27-12-15-30-13-6-7-14-30)28-24-17-21(29-31(23)24)18-8-2-1-3-9-18/h1-5,8-11,16-17H,6-7,12-15H2,(H,27,32)
InChIKeyBQWIEDSCZLUEFW-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.03
Rot. Bonds6

About 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 42877285) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID42877285
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C25H24FN5O/c26-20-11-5-4-10-19(20)23-16-22(25(32)27-12-15-30-13-6-7-14-30)28-24-17-21(29-31(23)24)18-8-2-1-3-9-18/h1-5,8-11,16-17H,6-7,12-15H2,(H,27,32)
InChIKeyBQWIEDSCZLUEFW-UHFFFAOYSA-N
XLogP4.03
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877286
7-(2-fluorophenyl)-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079633
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 17039133
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
N-[2-(dimethylamino)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716905
6-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876582
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42877309
5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170090156
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 23604016
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4046396
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877602

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 42877285) is 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(NCCN1CCCC1)c1cc(-c2ccccc2F)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is BQWIEDSCZLUEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c26-20-11-5-4-10-19(20)23-16-22(25(32)27-12-15-30-13-6-7-14-30)28-24-17-21(29-31(23)24)18-8-2-1-3-9-18/h1-5,8-11,16-17H,6-7,12-15H2,(H,27,32).
What are the key properties of 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 42877285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).