3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide

C24H22N4O2 — CID 144992290

IUPAC3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide
SMILESCN(C)c1cccc(-c2cc(C(N)=O)n(-c3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C24H22N4O2/c1-27(2)19-8-6-7-17(15-19)22-16-23(24(25)29)28(26-22)18-11-13-21(14-12-18)30-20-9-4-3-5-10-20/h3-16H,1-2H3,(H2,25,29)
InChIKeyIDMKPDNACASFPP-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.50
Rot. Bonds6

About 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide

3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide (PubChem CID 144992290) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide
PubChem CID144992290
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide
SMILESCN(C)c1cccc(-c2cc(C(N)=O)n(-c3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C24H22N4O2/c1-27(2)19-8-6-7-17(15-19)22-16-23(24(25)29)28(26-22)18-11-13-21(14-12-18)30-20-9-4-3-5-10-20/h3-16H,1-2H3,(H2,25,29)
InChIKeyIDMKPDNACASFPP-UHFFFAOYSA-N
XLogP4.50
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
N,N-dimethyl-3-(4-phenoxyphenyl)aniline
CID 57177626
3-(2,4-dihydroxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 174927898
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659
1-(1,3-diphenylpyrazol-5-yl)ethenamine
CID 170234692
1,3-diphenylpyrazole-5-carboximidamide
CID 170235177
[2-[benzyl(methyl)amino]-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 18273670
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 4553947
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide (CID 144992290) is 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide is CN(C)c1cccc(-c2cc(C(N)=O)n(-c3ccc(Oc4ccccc4)cc3)n2)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is IDMKPDNACASFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-27(2)19-8-6-7-17(15-19)22-16-23(24(25)29)28(26-22)18-11-13-21(14-12-18)30-20-9-4-3-5-10-20/h3-16H,1-2H3,(H2,25,29).
What are the key properties of 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide?
3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-1-(4-phenoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 144992290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).