(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone

C17H21FN4O — CID 134023843

IUPAC(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cnn(-c3ccccc3F)c2C)CC1
InChIInChI=1S/C17H21FN4O/c1-3-20-8-10-21(11-9-20)17(23)14-12-19-22(13(14)2)16-7-5-4-6-15(16)18/h4-7,12H,3,8-11H2,1-2H3
InChIKeyMVZKQKTXOIHVBP-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.10
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone

(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone (PubChem CID 134023843) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
PubChem CID134023843
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
SMILESCCN1CCN(C(=O)c2cnn(-c3ccccc3F)c2C)CC1
InChIInChI=1S/C17H21FN4O/c1-3-20-8-10-21(11-9-20)17(23)14-12-19-22(13(14)2)16-7-5-4-6-15(16)18/h4-7,12H,3,8-11H2,1-2H3
InChIKeyMVZKQKTXOIHVBP-UHFFFAOYSA-N
XLogP2.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169423
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111758263
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
N-butan-2-yl-2-[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 112814413
[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528703
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55671504
(2-fluorophenyl)-[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone
CID 112815096
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 112820675
[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56533740

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone (CID 134023843) is (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone is CCN1CCN(C(=O)c2cnn(-c3ccccc3F)c2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
The InChIKey is MVZKQKTXOIHVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-20-8-10-21(11-9-20)17(23)14-12-19-22(13(14)2)16-7-5-4-6-15(16)18/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 134023843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).