[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone

C24H28N4O2 — CID 56560638

IUPAC[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC(N(C)C)C3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H28N4O2/c1-26(2)20-10-7-15-27(17-20)24(29)22-16-23(18-11-13-21(30-3)14-12-18)28(25-22)19-8-5-4-6-9-19/h4-6,8-9,11-14,16,20H,7,10,15,17H2,1-3H3
InChIKeyTVQGASONDPHTAB-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.71
Rot. Bonds5

About [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone

[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone (PubChem CID 56560638) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
PubChem CID56560638
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC(N(C)C)C3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H28N4O2/c1-26(2)20-10-7-15-27(17-20)24(29)22-16-23(18-11-13-21(30-3)14-12-18)28(25-22)19-8-5-4-6-9-19/h4-6,8-9,11-14,16,20H,7,10,15,17H2,1-3H3
InChIKeyTVQGASONDPHTAB-UHFFFAOYSA-N
XLogP3.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
4-[3-[(3R)-3-(dimethylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 142544570
(2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166230935
[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
CID 154848010
(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166188464
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
1-azaspiro[3.3]heptan-1-yl-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166221939
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594
[5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 21090864
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]methanone
CID 118111663
1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 120512556

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone (CID 56560638) is [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCCC(N(C)C)C3)nn2-c2ccccc2)cc1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The InChIKey is TVQGASONDPHTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-26(2)20-10-7-15-27(17-20)24(29)22-16-23(18-11-13-21(30-3)14-12-18)28(25-22)19-8-5-4-6-9-19/h4-6,8-9,11-14,16,20H,7,10,15,17H2,1-3H3.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone is sourced from PubChem (CID 56560638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).