2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C16H20FN5O — CID 133423230

IUPAC2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCCc1ncnc(N2CCCC2CC(=O)c2cnn(C)c2)c1F
InChIInChI=1S/C16H20FN5O/c1-3-13-15(17)16(19-10-18-13)22-6-4-5-12(22)7-14(23)11-8-20-21(2)9-11/h8-10,12H,3-7H2,1-2H3
InChIKeyQRDMDIYCNCCUPH-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.15
Rot. Bonds5

About 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 133423230) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID133423230
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCCc1ncnc(N2CCCC2CC(=O)c2cnn(C)c2)c1F
InChIInChI=1S/C16H20FN5O/c1-3-13-15(17)16(19-10-18-13)22-6-4-5-12(22)7-14(23)11-8-20-21(2)9-11/h8-10,12H,3-7H2,1-2H3
InChIKeyQRDMDIYCNCCUPH-UHFFFAOYSA-N
XLogP2.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7,8,9,10,11-Hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-yl(1-pyrrolidinyl)methanone
CID 53015709
N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-propylpyrimidine-5-carboxamide
CID 77091638
1-[1-(5-Fluoropyrimidin-2-yl)-3-methylpyrazol-4-yl]-2-methylpropan-1-one
CID 170387820
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75483787
1-(1-Methylpyrazol-4-yl)-2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]ethanone
CID 75499083
2-[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97340642
2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97340643
1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]ethanone
CID 97803016
1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]ethanone
CID 97803017
(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 129004494
(4S,5R)-4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129004543
2-[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 133423222

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 133423230) is 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is CCc1ncnc(N2CCCC2CC(=O)c2cnn(C)c2)c1F.
What is the InChIKey of 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is QRDMDIYCNCCUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-3-13-15(17)16(19-10-18-13)22-6-4-5-12(22)7-14(23)11-8-20-21(2)9-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 317.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 133423230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).