2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone

C22H30FN5O — CID 24817111

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)n1
InChIInChI=1S/C22H30FN5O/c1-17-14-18(2)28(24-17)16-22(29)27-9-3-4-21(15-27)26-12-10-25(11-13-26)20-7-5-19(23)6-8-20/h5-8,14,21H,3-4,9-13,15-16H2,1-2H3
InChIKeyVOIIPXRCBWXSEQ-UHFFFAOYSA-N
MW399.51 g/mol
LogP2.45
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 24817111) has the molecular formula C22H30FN5O and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID24817111
Molecular FormulaC22H30FN5O
Molecular Weight399.51 g/mol
Exact Mass399.24
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)n1
InChIInChI=1S/C22H30FN5O/c1-17-14-18(2)28(24-17)16-22(29)27-9-3-4-21(15-27)26-12-10-25(11-13-26)20-7-5-19(23)6-8-20/h5-8,14,21H,3-4,9-13,15-16H2,1-2H3
InChIKeyVOIIPXRCBWXSEQ-UHFFFAOYSA-N
XLogP2.45
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 1370410
N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 762228
[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(4-fluorophenyl)-3-piperidinamine
CID 24790221
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethanone
CID 21071094
2-(3,5-Dimethyl-pyrazol-1-yl)-N-phenyl-acetamide
CID 2053745
2-(4-Bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 4777062
N-(3,4-difluorophenyl)-1-(1H-pyrazol-1-ylacetyl)-3-piperidinamine
CID 24790849
1-(2-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791424
1-(4-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791750
[4-(4-Fluorophenyl)-1-piperazinyl]-(2-methyl-3-pyrazolyl)methanone
CID 1220811
4-[(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoyl]piperazin-2-one
CID 2450594

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone (CID 24817111) is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is VOIIPXRCBWXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O/c1-17-14-18(2)28(24-17)16-22(29)27-9-3-4-21(15-27)26-12-10-25(11-13-26)20-7-5-19(23)6-8-20/h5-8,14,21H,3-4,9-13,15-16H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 399.51 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 24817111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).