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

C24H25FN4O3 — CID 24817376

IUPACN-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H25FN4O3/c25-21-9-5-4-8-20(21)24(31)28-15-11-18(12-16-28)29-22(10-14-26-29)27-23(30)13-17-32-19-6-2-1-3-7-19/h1-10,14,18H,11-13,15-17H2,(H,27,30)
InChIKeyOEJSSNGYUJCDTK-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.91
Rot. Bonds7

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

N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 24817376) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID24817376
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H25FN4O3/c25-21-9-5-4-8-20(21)24(31)28-15-11-18(12-16-28)29-22(10-14-26-29)27-23(30)13-17-32-19-6-2-1-3-7-19/h1-10,14,18H,11-13,15-17H2,(H,27,30)
InChIKeyOEJSSNGYUJCDTK-UHFFFAOYSA-N
XLogP3.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-Difluoro-2-propan-2-yl-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.14,8.018,22]tricosa-1(21),4(23),5,7,15(22),16,19-heptaen-14-one
CID 155520832
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-[(4-bromophenoxy)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 997438
4-[(2-chlorophenoxy)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 999249
N-{1-[1-(3-furoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790587
N-cyclopropyl-3-(1-(3-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45269229
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540510
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540610

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 24817376) is N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is OEJSSNGYUJCDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-21-9-5-4-8-20(21)24(31)28-15-11-18(12-16-28)29-22(10-14-26-29)27-23(30)13-17-32-19-6-2-1-3-7-19/h1-10,14,18H,11-13,15-17H2,(H,27,30).
What are the key properties of N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 436.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 24817376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).