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

C14H16FN5O — CID 97340643

IUPAC2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)C[C@H]2CCCN2c2ncc(F)cn2)cn1
InChIInChI=1S/C14H16FN5O/c1-19-9-10(6-18-19)13(21)5-12-3-2-4-20(12)14-16-7-11(15)8-17-14/h6-9,12H,2-5H2,1H3/t12-/m1/s1
InChIKeyMLVYFVUJJFEANC-GFCCVEGCSA-N
MW289.31 g/mol
LogP1.59
Rot. Bonds4

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

2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 97340643) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID97340643
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)C[C@H]2CCCN2c2ncc(F)cn2)cn1
InChIInChI=1S/C14H16FN5O/c1-19-9-10(6-18-19)13(21)5-12-3-2-4-20(12)14-16-7-11(15)8-17-14/h6-9,12H,2-5H2,1H3/t12-/m1/s1
InChIKeyMLVYFVUJJFEANC-GFCCVEGCSA-N
XLogP1.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-1-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97470964
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
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
2-[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 133423222
2-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 133423230
(1-Methylpyrazol-4-yl)-pyrimidin-5-ylmethanone
CID 65195915
2-[1-(1-Tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75397563
2-[1-(5-Bromopyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75397564
1-(1-Methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone
CID 75435652

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 97340643) is 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)C[C@H]2CCCN2c2ncc(F)cn2)cn1.
What is the InChIKey of 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is MLVYFVUJJFEANC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-19-9-10(6-18-19)13(21)5-12-3-2-4-20(12)14-16-7-11(15)8-17-14/h6-9,12H,2-5H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 289.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 97340643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).