5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H17F2N5O — CID 58063195

IUPAC5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(Nc1ccn2ncc(C(=O)Nc3ccccc3)c2n1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5O/c1-13(14-9-15(22)11-16(23)10-14)25-19-7-8-28-20(27-19)18(12-24-28)21(29)26-17-5-3-2-4-6-17/h2-13H,1H3,(H,25,27)(H,26,29)
InChIKeyFYVKMMVWKADHJO-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.43
Rot. Bonds5

About 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063195) has the molecular formula C21H17F2N5O and a molecular weight of 393.40 g/mol. Its IUPAC name is 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063195
Molecular FormulaC21H17F2N5O
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC Name5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(Nc1ccn2ncc(C(=O)Nc3ccccc3)c2n1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H17F2N5O/c1-13(14-9-15(22)11-16(23)10-14)25-19-7-8-28-20(27-19)18(12-24-28)21(29)26-17-5-3-2-4-6-17/h2-13H,1H3,(H,25,27)(H,26,29)
InChIKeyFYVKMMVWKADHJO-UHFFFAOYSA-N
XLogP4.43
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063195) is 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(Nc1ccn2ncc(C(=O)Nc3ccccc3)c2n1)c1cc(F)cc(F)c1.
What is the InChIKey of 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FYVKMMVWKADHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O/c1-13(14-9-15(22)11-16(23)10-14)25-19-7-8-28-20(27-19)18(12-24-28)21(29)26-17-5-3-2-4-6-17/h2-13H,1H3,(H,25,27)(H,26,29).
What are the key properties of 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).