4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one

C28H25N3O2 — CID 20997924

IUPAC4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cc(C)c2/c(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C28H25N3O2/c1-18-15-19(2)26-23(17-24(33-25(26)16-18)21-11-7-5-8-12-21)29-27-20(3)30(4)31(28(27)32)22-13-9-6-10-14-22/h5-17H,1-4H3/b29-23+
InChIKeyLZYPGFSRBZFFAP-BYNJWEBRSA-N
MW435.53 g/mol
LogP5.75
Rot. Bonds3

About 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 20997924) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID20997924
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cc(C)c2/c(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C28H25N3O2/c1-18-15-19(2)26-23(17-24(33-25(26)16-18)21-11-7-5-8-12-21)29-27-20(3)30(4)31(28(27)32)22-13-9-6-10-14-22/h5-17H,1-4H3/b29-23+
InChIKeyLZYPGFSRBZFFAP-BYNJWEBRSA-N
XLogP5.75
TPSA52.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20998885
(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(5,7-dimethyl-2-phenylchromen-4-ylidene)azanium tetrafluoroborate
CID 20997923
1,5-dimethyl-4-[[5-(4-methylphenyl)-3-oxofuran-2-ylidene]amino]-2-phenylpyrazol-3-one
CID 4988629
1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one
CID 1498144
4-[[5-(1-benzofuran-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 135512311
4-[(2,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3091016
4-[[4-(3,4-dimethylphenyl)-3-[(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23992316
4-[[5-(4-bromophenyl)-2-oxofuran-3-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 15502837
2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-diphenylguanidine
CID 2140220
1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
CID 4064247
4-[[4-(1-benzofuran-2-yl)-3-[(4-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23824520
4-[3-(2-methoxyphenyl)prop-2-enylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 4095173

Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 20997924) is 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1cc(C)c2/c(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is LZYPGFSRBZFFAP-BYNJWEBRSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-18-15-19(2)26-23(17-24(33-25(26)16-18)21-11-7-5-8-12-21)29-27-20(3)30(4)31(28(27)32)22-13-9-6-10-14-22/h5-17H,1-4H3/b29-23+.
What are the key properties of 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 435.53 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 20997924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).