1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C20H20FN5O2 — CID 110270384

IUPAC1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(Oc2ccccc2F)nc(C2CCCN2C(=O)Cn2cccn2)n1
InChIInChI=1S/C20H20FN5O2/c1-14-12-18(28-17-8-3-2-6-15(17)21)24-20(23-14)16-7-4-11-26(16)19(27)13-25-10-5-9-22-25/h2-3,5-6,8-10,12,16H,4,7,11,13H2,1H3
InChIKeyIPCVIJVBBWLSTM-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 110270384) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID110270384
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cc(Oc2ccccc2F)nc(C2CCCN2C(=O)Cn2cccn2)n1
InChIInChI=1S/C20H20FN5O2/c1-14-12-18(28-17-8-3-2-6-15(17)21)24-20(23-14)16-7-4-11-26(16)19(27)13-25-10-5-9-22-25/h2-3,5-6,8-10,12,16H,4,7,11,13H2,1H3
InChIKeyIPCVIJVBBWLSTM-UHFFFAOYSA-N
XLogP3.28
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-Difluorophenyl)-3-[4-[[2-[4-[3-(dimethylamino)propyl]-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]-3-fluorophenyl]urea
CID 127045718
[5-[(3,4-difluorophenoxy)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 134809001
[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxamide, N-methyl-N-(4-trifluoromethoxyphenyl)-
CID 707453
8-(1,5-Dimethylpyrazol-4-yl)-6-methyl-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
CID 134809847
4-(3,5-Dimethylpyrazol-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 1818834
4-(3,5-Dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine
CID 7314799
4-(4-(1-(4-Methoxyphenyl)-1H-pyrazol-4-yl)pyrimidin-2-yl)-1-methylpiperazin-2-one
CID 46985342
N-[2-(2-fluorophenoxy)ethyl]-N-(2-methoxyethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 132417588
2-Methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
CID 138038838
1-(1-tert-butylpyrazol-4-yl)-3-[2-fluoro-4-[[2-(1H-1,2,4-triazol-5-yl)-4-pyridinyl]oxy]phenyl]urea
CID 25099858
Isopropyl 4-(5-cyano-4-{[2-fluoro-4-(1-methyl-1H-imidazol-2-yl)phenoxy]methyl}-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 49834380
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56574101

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 110270384) is 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is Cc1cc(Oc2ccccc2F)nc(C2CCCN2C(=O)Cn2cccn2)n1.
What is the InChIKey of 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is IPCVIJVBBWLSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-14-12-18(28-17-8-3-2-6-15(17)21)24-20(23-14)16-7-4-11-26(16)19(27)13-25-10-5-9-22-25/h2-3,5-6,8-10,12,16H,4,7,11,13H2,1H3.
What are the key properties of 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 381.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 110270384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).