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

C18H18FN5O — CID 53171802

IUPACN-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(N2CCCC2)n2nccc2n1
InChIInChI=1S/C18H18FN5O/c19-14-5-3-13(4-6-14)12-20-18(25)15-11-17(23-9-1-2-10-23)24-16(22-15)7-8-21-24/h3-8,11H,1-2,9-10,12H2,(H,20,25)
InChIKeyCBAJPPDPRUMAFY-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.40
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53171802) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53171802
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(N2CCCC2)n2nccc2n1
InChIInChI=1S/C18H18FN5O/c19-14-5-3-13(4-6-14)12-20-18(25)15-11-17(23-9-1-2-10-23)24-16(22-15)7-8-21-24/h3-8,11H,1-2,9-10,12H2,(H,20,25)
InChIKeyCBAJPPDPRUMAFY-UHFFFAOYSA-N
XLogP2.40
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53171802) is N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(N2CCCC2)n2nccc2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CBAJPPDPRUMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-5-3-13(4-6-14)12-20-18(25)15-11-17(23-9-1-2-10-23)24-16(22-15)7-8-21-24/h3-8,11H,1-2,9-10,12H2,(H,20,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53171802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).