[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H22FN5O — CID 60593051

IUPAC[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H22FN5O/c1-15-20(16(2)27(24-15)18-8-6-17(22)7-9-18)21(28)26-13-11-25(12-14-26)19-5-3-4-10-23-19/h3-10H,11-14H2,1-2H3
InChIKeyNWLHOZCSCTXRGO-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.99
Rot. Bonds3

About [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 60593051) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID60593051
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H22FN5O/c1-15-20(16(2)27(24-15)18-8-6-17(22)7-9-18)21(28)26-13-11-25(12-14-26)19-5-3-4-10-23-19/h3-10H,11-14H2,1-2H3
InChIKeyNWLHOZCSCTXRGO-UHFFFAOYSA-N
XLogP2.99
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17480979
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 51260305
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56814101
[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 90507795
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804335
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 8899117
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16594851
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 10094128
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143718
N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 55568581
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694964

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 60593051) is [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NWLHOZCSCTXRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-15-20(16(2)27(24-15)18-8-6-17(22)7-9-18)21(28)26-13-11-25(12-14-26)19-5-3-4-10-23-19/h3-10H,11-14H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 379.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 60593051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).