N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide

C30H30N4O3 — CID 39510688

IUPACN-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C30H30N4O3/c1-21-10-6-7-13-24(21)29(35)31-22-16-18-33(19-17-22)30(36)26-20-34(23-11-4-3-5-12-23)32-28(26)25-14-8-9-15-27(25)37-2/h3-15,20,22H,16-19H2,1-2H3,(H,31,35)
InChIKeyCHCLIFCDGDAFFI-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.89
Rot. Bonds6

About N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 39510688) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID39510688
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC NameN-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C30H30N4O3/c1-21-10-6-7-13-24(21)29(35)31-22-16-18-33(19-17-22)30(36)26-20-34(23-11-4-3-5-12-23)32-28(26)25-14-8-9-15-27(25)37-2/h3-15,20,22H,16-19H2,1-2H3,(H,31,35)
InChIKeyCHCLIFCDGDAFFI-UHFFFAOYSA-N
XLogP4.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 134000260
N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 17404093
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763080
[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460519
3-(2-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55954223
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
azocan-1-yl-[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112793142
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide (CID 39510688) is N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide is COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is CHCLIFCDGDAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-21-10-6-7-13-24(21)29(35)31-22-16-18-33(19-17-22)30(36)26-20-34(23-11-4-3-5-12-23)32-28(26)25-14-8-9-15-27(25)37-2/h3-15,20,22H,16-19H2,1-2H3,(H,31,35).
What are the key properties of N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 494.60 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 39510688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).