[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

C22H24FN5O — CID 55890675

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C22H24FN5O/c23-19-5-1-2-6-20(19)28-21(26-9-3-4-10-26)18(15-24-28)22(29)27-13-11-25(12-14-27)16-17-7-8-17/h1-6,9-10,15,17H,7-8,11-14,16H2
InChIKeyZKAOSJXNDRJCIX-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.97
Rot. Bonds5

About [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (PubChem CID 55890675) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
PubChem CID55890675
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C22H24FN5O/c23-19-5-1-2-6-20(19)28-21(26-9-3-4-10-26)18(15-24-28)22(29)27-13-11-25(12-14-27)16-17-7-8-17/h1-6,9-10,15,17H,7-8,11-14,16H2
InChIKeyZKAOSJXNDRJCIX-UHFFFAOYSA-N
XLogP2.97
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56533740
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CID 39322161
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
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 51935623
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CID 55582276
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 39699272
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 37077198
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 37393924
azepan-1-yl-[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 86206810
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (CID 55890675) is [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is O=C(c1cnn(-c2ccccc2F)c1-n1cccc1)N1CCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The InChIKey is ZKAOSJXNDRJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-19-5-1-2-6-20(19)28-21(26-9-3-4-10-26)18(15-24-28)22(29)27-13-11-25(12-14-27)16-17-7-8-17/h1-6,9-10,15,17H,7-8,11-14,16H2.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone has a molecular weight of 393.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 55890675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).