N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide

C18H19FN6O — CID 146012268

IUPACN-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide
SMILESCC1NNC(C(=O)Nc2cnc3cc(-c4ccc(F)cc4)nn3c2)C1C
InChIInChI=1S/C18H19FN6O/c1-10-11(2)22-23-17(10)18(26)21-14-8-20-16-7-15(24-25(16)9-14)12-3-5-13(19)6-4-12/h3-11,17,22-23H,1-2H3,(H,21,26)
InChIKeyGMXRACWYOMNXRZ-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.97
Rot. Bonds3

About N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide

N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide (PubChem CID 146012268) has the molecular formula C18H19FN6O and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide
PubChem CID146012268
Molecular FormulaC18H19FN6O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC NameN-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide
SMILESCC1NNC(C(=O)Nc2cnc3cc(-c4ccc(F)cc4)nn3c2)C1C
InChIInChI=1S/C18H19FN6O/c1-10-11(2)22-23-17(10)18(26)21-14-8-20-16-7-15(24-25(16)9-14)12-3-5-13(19)6-4-12/h3-11,17,22-23H,1-2H3,(H,21,26)
InChIKeyGMXRACWYOMNXRZ-UHFFFAOYSA-N
XLogP1.97
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide (CID 146012268) is N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide is CC1NNC(C(=O)Nc2cnc3cc(-c4ccc(F)cc4)nn3c2)C1C.
What is the InChIKey of N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide?
The InChIKey is GMXRACWYOMNXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O/c1-10-11(2)22-23-17(10)18(26)21-14-8-20-16-7-15(24-25(16)9-14)12-3-5-13(19)6-4-12/h3-11,17,22-23H,1-2H3,(H,21,26).
What are the key properties of N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide?
N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-4,5-dimethylpyrazolidine-3-carboxamide is sourced from PubChem (CID 146012268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).