N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C20H25FN4O2 — CID 24793860

IUPACN-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O2/c1-14(2)13-19(26)23-18-7-10-22-25(18)15-8-11-24(12-9-15)20(27)16-5-3-4-6-17(16)21/h3-7,10,14-15H,8-9,11-13H2,1-2H3,(H,23,26)
InChIKeyLSZCBZAQCYVEHL-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.48
Rot. Bonds5

About N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 24793860) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
PubChem CID24793860
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H25FN4O2/c1-14(2)13-19(26)23-18-7-10-22-25(18)15-8-11-24(12-9-15)20(27)16-5-3-4-6-17(16)21/h3-7,10,14-15H,8-9,11-13H2,1-2H3,(H,23,26)
InChIKeyLSZCBZAQCYVEHL-UHFFFAOYSA-N
XLogP3.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
N-cyclopropyl-3-(1-(3-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25242389
N-cyclopropyl-3-(7-ethyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25271185
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231792
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231793
Gsk-5498A
CID 46945384
1-(1-methylpyrazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283623
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 24793860) is N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is LSZCBZAQCYVEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-14(2)13-19(26)23-18-7-10-22-25(18)15-8-11-24(12-9-15)20(27)16-5-3-4-6-17(16)21/h3-7,10,14-15H,8-9,11-13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 372.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 24793860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).