2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide

C20H23FN6O — CID 166249171

IUPAC2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
SMILESCN1CCC(n2cc(NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)cn2)CC1
InChIInChI=1S/C20H23FN6O/c1-25-9-7-19(8-10-25)27-14-17(13-22-27)23-20(28)12-16-6-11-26(24-16)18-4-2-15(21)3-5-18/h2-6,11,13-14,19H,7-10,12H2,1H3,(H,23,28)
InChIKeyCLHOZBHVHWVPQF-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.66
Rot. Bonds5

About 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide

2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide (PubChem CID 166249171) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
PubChem CID166249171
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
SMILESCN1CCC(n2cc(NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)cn2)CC1
InChIInChI=1S/C20H23FN6O/c1-25-9-7-19(8-10-25)27-14-17(13-22-27)23-20(28)12-16-6-11-26(24-16)18-4-2-15(21)3-5-18/h2-6,11,13-14,19H,7-10,12H2,1H3,(H,23,28)
InChIKeyCLHOZBHVHWVPQF-UHFFFAOYSA-N
XLogP2.66
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166231051
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide
CID 71998650
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 167752647
N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166322622
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 71873510
cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 167806359
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166287093
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 155947299
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 71870126
1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930834
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
CID 97249783

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide (CID 166249171) is 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide is CN1CCC(n2cc(NC(=O)Cc3ccn(-c4ccc(F)cc4)n3)cn2)CC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is CLHOZBHVHWVPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c1-25-9-7-19(8-10-25)27-14-17(13-22-27)23-20(28)12-16-6-11-26(24-16)18-4-2-15(21)3-5-18/h2-6,11,13-14,19H,7-10,12H2,1H3,(H,23,28).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 382.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 166249171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).