1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide

C27H24N4O2 — CID 174903564

IUPAC1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)c(=O)n(-c2ccccc2)n1C.NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H16N2O.C10H8N2O/c1-13-16(14-9-5-3-6-10-14)17(20)19(18(13)2)15-11-7-4-8-12-15;11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h3-12H,1-2H3;1-6H,(H2,11,13)
InChIKeySDIUEJOVDHZTPC-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.49
Rot. Bonds3

About 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide

1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide (PubChem CID 174903564) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide
PubChem CID174903564
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)c(=O)n(-c2ccccc2)n1C.NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H16N2O.C10H8N2O/c1-13-16(14-9-5-3-6-10-14)17(20)19(18(13)2)15-11-7-4-8-12-15;11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h3-12H,1-2H3;1-6H,(H2,11,13)
InChIKeySDIUEJOVDHZTPC-UHFFFAOYSA-N
XLogP4.49
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-oxo-2,5-diphenylpyrazole-4-carboxylic acid
CID 170985188
3-methyl-2-(3-methylindazol-2-yl)pyridine-4-carboxamide
CID 121470575
4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 13330527
4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 139228956
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethoxy]benzamide
CID 7283899
N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90700662
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 23991298
1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3702124
1,5-dimethyl-2-phenyl-4-(2,2,2-trifluoroacetyl)pyrazol-3-one
CID 174506740
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3842976
5-[[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 56869675
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 24589541

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide?
The IUPAC name of 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide (CID 174903564) is 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide is Cc1c(-c2ccccc2)c(=O)n(-c2ccccc2)n1C.NC(=O)c1ccnc2ccccc12.
What is the InChIKey of 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide?
The InChIKey is SDIUEJOVDHZTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.C10H8N2O/c1-13-16(14-9-5-3-6-10-14)17(20)19(18(13)2)15-11-7-4-8-12-15;11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h3-12H,1-2H3;1-6H,(H2,11,13).
What are the key properties of 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide?
1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,4-diphenylpyrazol-3-one;quinoline-4-carboxamide is sourced from PubChem (CID 174903564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).