[1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone

C18H16ClFN4O2 — CID 51054141

IUPAC[1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1)N1CCOCC1
InChIInChI=1S/C18H16ClFN4O2/c19-15-4-3-13(20)11-16(15)24-17(22-5-1-2-6-22)14(12-21-24)18(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2
InChIKeyIKEORTDUIQYYLZ-UHFFFAOYSA-N
MW374.80 g/mol
LogP2.93
Rot. Bonds3

About [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone

[1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 51054141) has the molecular formula C18H16ClFN4O2 and a molecular weight of 374.80 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID51054141
Molecular FormulaC18H16ClFN4O2
Molecular Weight374.80 g/mol
Exact Mass374.09
IUPAC Name[1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1)N1CCOCC1
InChIInChI=1S/C18H16ClFN4O2/c19-15-4-3-13(20)11-16(15)24-17(22-5-1-2-6-22)14(12-21-24)18(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2
InChIKeyIKEORTDUIQYYLZ-UHFFFAOYSA-N
XLogP2.93
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
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CID 51935623
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[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 51054141) is [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cnn(-c2cc(F)ccc2Cl)c1-n1cccc1)N1CCOCC1.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is IKEORTDUIQYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2/c19-15-4-3-13(20)11-16(15)24-17(22-5-1-2-6-22)14(12-21-24)18(25)23-7-9-26-10-8-23/h1-6,11-12H,7-10H2.
What are the key properties of [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone?
[1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 374.80 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51054141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).