N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H17FN4O2 — CID 131906642

IUPACN-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)NCCOc3ccccc3F)cc(C)n2n1
InChIInChI=1S/C17H17FN4O2/c1-11-9-16-20-14(10-12(2)22(16)21-11)17(23)19-7-8-24-15-6-4-3-5-13(15)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyAFOGFAKADYHAAZ-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 131906642) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID131906642
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)NCCOc3ccccc3F)cc(C)n2n1
InChIInChI=1S/C17H17FN4O2/c1-11-9-16-20-14(10-12(2)22(16)21-11)17(23)19-7-8-24-15-6-4-3-5-13(15)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyAFOGFAKADYHAAZ-UHFFFAOYSA-N
XLogP2.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 24768401
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768404
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 24768414
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 24768415
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-acetylpiperazin-1-yl)acetamide
CID 24768419
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 24768420
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(1,4-oxazepan-4-yl)acetamide
CID 24768421
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide
CID 24768422
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(pyrrolidin-1-yl)acetamide
CID 24768424
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(propan-2-yloxy)pyrrolidin-1-yl]acetamide
CID 24768427
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-(ethylamino)pyrrolidin-1-yl]acetamide
CID 24768428
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]acetamide
CID 24768429

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 131906642) is N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)NCCOc3ccccc3F)cc(C)n2n1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is AFOGFAKADYHAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11-9-16-20-14(10-12(2)22(16)21-11)17(23)19-7-8-24-15-6-4-3-5-13(15)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 131906642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).