N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide

C17H16FN5O2 — CID 71805381

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)COc3ccccc3F)ncn2)n1
InChIInChI=1S/C17H16FN5O2/c1-11-7-12(2)23(22-11)16-8-15(19-10-20-16)21-17(24)9-25-14-6-4-3-5-13(14)18/h3-8,10H,9H2,1-2H3,(H,19,20,21,24)
InChIKeyGWKGVCQKJWVBKU-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.44
Rot. Bonds5

About N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide

N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 71805381) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID71805381
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide
SMILESCc1cc(C)n(-c2cc(NC(=O)COc3ccccc3F)ncn2)n1
InChIInChI=1S/C17H16FN5O2/c1-11-7-12(2)23(22-11)16-8-15(19-10-20-16)21-17(24)9-25-14-6-4-3-5-13(14)18/h3-8,10H,9H2,1-2H3,(H,19,20,21,24)
InChIKeyGWKGVCQKJWVBKU-UHFFFAOYSA-N
XLogP2.44
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25138080
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
CID 658308
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine
CID 850354
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
CID 2310735
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 8057131
N-(4-{[4-Methyl-6-(pyrrolidin-1-YL)pyrimidin-2-YL]amino}phenyl)-2-phenoxyacetamide
CID 18566669
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-[(R)-2-(pyridin-2-yloxymethyl) pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
CID 25208107
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-[(S)-2-(pyridin-2-yloxymethyl) pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
CID 25208108
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-(2-(dimethylamino)ethoxy)phenyl)pyrimidin-4-yl)acetamide
CID 44589890
N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(2-fluorophenoxy)acetamide
CID 135551724
[2-(2-Ethoxyanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2472199
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 59758075

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide (CID 71805381) is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide is Cc1cc(C)n(-c2cc(NC(=O)COc3ccccc3F)ncn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is GWKGVCQKJWVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-11-7-12(2)23(22-11)16-8-15(19-10-20-16)21-17(24)9-25-14-6-4-3-5-13(14)18/h3-8,10H,9H2,1-2H3,(H,19,20,21,24).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide?
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 341.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 71805381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).