N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide

C25H28N4O2 — CID 55781057

IUPACN-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C25H28N4O2/c1-18-8-10-22(11-9-18)29-17-23(24(27-29)21-6-4-3-5-7-21)25(31)28-14-12-20(13-15-28)16-26-19(2)30/h3-11,17,20H,12-16H2,1-2H3,(H,26,30)
InChIKeySWNDXQPSFKVEQC-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.84
Rot. Bonds5

About N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide

N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide (PubChem CID 55781057) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
PubChem CID55781057
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C25H28N4O2/c1-18-8-10-22(11-9-18)29-17-23(24(27-29)21-6-4-3-5-7-21)25(31)28-14-12-20(13-15-28)16-26-19(2)30/h3-11,17,20H,12-16H2,1-2H3,(H,26,30)
InChIKeySWNDXQPSFKVEQC-UHFFFAOYSA-N
XLogP3.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202210
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 155492081
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119517892
(1,3-diphenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538902
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540012
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46377846
[4-[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55850978
[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 111561482
1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
CID 32541952

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide (CID 55781057) is N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)CC1.
What is the InChIKey of N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is SWNDXQPSFKVEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-8-10-22(11-9-18)29-17-23(24(27-29)21-6-4-3-5-7-21)25(31)28-14-12-20(13-15-28)16-26-19(2)30/h3-11,17,20H,12-16H2,1-2H3,(H,26,30).
What are the key properties of N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 55781057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).