[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone

C19H19FN4O2 — CID 39699272

IUPAC[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CCO1
InChIInChI=1S/C19H19FN4O2/c1-14-13-23(10-11-26-14)19(25)15-12-21-24(17-7-3-2-6-16(17)20)18(15)22-8-4-5-9-22/h2-9,12,14H,10-11,13H2,1H3/t14-/m0/s1
InChIKeyBTLWRILPWAPBIF-AWEZNQCLSA-N
MW354.39 g/mol
LogP2.66
Rot. Bonds3

About [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone

[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 39699272) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID39699272
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CCO1
InChIInChI=1S/C19H19FN4O2/c1-14-13-23(10-11-26-14)19(25)15-12-21-24(17-7-3-2-6-16(17)20)18(15)22-8-4-5-9-22/h2-9,12,14H,10-11,13H2,1H3/t14-/m0/s1
InChIKeyBTLWRILPWAPBIF-AWEZNQCLSA-N
XLogP2.66
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 51935623
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CID 39699339
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 55890675
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56533740
N-[1-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 34353910
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CID 55577511
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 37393924
4-[[4-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 39322161
azepan-1-yl-[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 86206810
2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone (CID 39699272) is [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CCO1.
What is the InChIKey of [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is BTLWRILPWAPBIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-14-13-23(10-11-26-14)19(25)15-12-21-24(17-7-3-2-6-16(17)20)18(15)22-8-4-5-9-22/h2-9,12,14H,10-11,13H2,1H3/t14-/m0/s1.
What are the key properties of [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 354.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 39699272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).