1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide

C22H23FN4O3 — CID 134000355

IUPAC1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H23FN4O3/c1-14-20(15(2)27(25-14)18-7-5-16(23)6-8-18)21(28)24-17-9-11-26(12-10-17)22(29)19-4-3-13-30-19/h3-8,13,17H,9-12H2,1-2H3,(H,24,28)
InChIKeyDPCGFHFUHCRGPB-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 134000355) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID134000355
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H23FN4O3/c1-14-20(15(2)27(25-14)18-7-5-16(23)6-8-18)21(28)24-17-9-11-26(12-10-17)22(29)19-4-3-13-30-19/h3-8,13,17H,9-12H2,1-2H3,(H,24,28)
InChIKeyDPCGFHFUHCRGPB-UHFFFAOYSA-N
XLogP3.26
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119477007
5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 16613697
N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide
CID 55568581
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
5-fluoro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136514589
1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 78860632
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694964
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18144349
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 134000355) is 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is DPCGFHFUHCRGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-20(15(2)27(25-14)18-7-5-16(23)6-8-18)21(28)24-17-9-11-26(12-10-17)22(29)19-4-3-13-30-19/h3-8,13,17H,9-12H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 134000355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).