N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

C24H25FN4O3 — CID 91628916

IUPACN-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)c1
InChIInChI=1S/C24H25FN4O3/c1-32-18-6-4-5-16(13-18)14-23(30)29-11-9-17(10-12-29)21-15-22(28-27-21)24(31)26-20-8-3-2-7-19(20)25/h2-8,13,15,17H,9-12,14H2,1H3,(H,26,31)(H,27,28)
InChIKeyWGFXKOVMYMWWHD-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.76
Rot. Bonds6

About N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628916) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628916
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)c1
InChIInChI=1S/C24H25FN4O3/c1-32-18-6-4-5-16(13-18)14-23(30)29-11-9-17(10-12-29)21-15-22(28-27-21)24(31)26-20-8-3-2-7-19(20)25/h2-8,13,15,17H,9-12,14H2,1H3,(H,26,31)(H,27,28)
InChIKeyWGFXKOVMYMWWHD-UHFFFAOYSA-N
XLogP3.76
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628904
N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628898
5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628921
4-[(4-fluorophenyl)methyl]-3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 91890592
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 70758401
N-(4-chloro-2-fluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839622
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
N-(2,4-difluorophenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 71839633
5-[(3S)-1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
CID 125016140
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804369
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113007035

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628916) is N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is COc1cccc(CC(=O)N2CCC(c3cc(C(=O)Nc4ccccc4F)n[nH]3)CC2)c1.
What is the InChIKey of N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is WGFXKOVMYMWWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-32-18-6-4-5-16(13-18)14-23(30)29-11-9-17(10-12-29)21-15-22(28-27-21)24(31)26-20-8-3-2-7-19(20)25/h2-8,13,15,17H,9-12,14H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).