1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one

C24H19N3O2 — CID 10022719

IUPAC1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one
SMILESCc1nn(-c2cccc(NCc3ccccc3)c2)c2oc3ccccc3c(=O)c12
InChIInChI=1S/C24H19N3O2/c1-16-22-23(28)20-12-5-6-13-21(20)29-24(22)27(26-16)19-11-7-10-18(14-19)25-15-17-8-3-2-4-9-17/h2-14,25H,15H2,1H3
InChIKeyOPOVOKFKFJEHDH-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.05
Rot. Bonds4

About 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one

1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one (PubChem CID 10022719) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one
PubChem CID10022719
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one
SMILESCc1nn(-c2cccc(NCc3ccccc3)c2)c2oc3ccccc3c(=O)c12
InChIInChI=1S/C24H19N3O2/c1-16-22-23(28)20-12-5-6-13-21(20)29-24(22)27(26-16)19-11-7-10-18(14-19)25-15-17-8-3-2-4-9-17/h2-14,25H,15H2,1H3
InChIKeyOPOVOKFKFJEHDH-UHFFFAOYSA-N
XLogP5.05
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-phenyl-1H,4H-chromeno[4,3-c]pyrazol-4-one
CID 2793709
3-methyl-2-phenylchromeno[4,3-c]pyrazol-4(2H)-one
CID 15569045
10-(2-Aminoethylamino)-14-[(2-aminoethylamino)methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 9977071
10-[2-(Dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 10478193
N-(2-methoxybenzyl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 997165
7-Methoxy-3-methyl-1-phenyl-1H-chromeno[2,3-c]pyrazol-4-one
CID 9972412
1-(3-Amino-phenyl)-7-methoxy-3-methyl-1H-chromeno[2,3-c]pyrazol-4-one
CID 9996169
1-(3-Amino-phenyl)-6-bromo-3-methyl-1H-chromeno[2,3-c]pyrazol-4-one
CID 10090517
1-(3-Amino-phenyl)-7-hydroxy-3-methyl-1H-chromeno[2,3-c]pyrazol-4-one
CID 10244688
1-(3-Amino-phenyl)-6-methoxy-3-methyl-1H-chromeno[2,3-c]pyrazol-4-one
CID 10245507
6-Hydroxy-3-methyl-1-phenyl-1H-chromeno[2,3-c]pyrazol-4-one
CID 10266319
1-(3-Amino-4-chloro-phenyl)-3-methyl-1H-chromeno[2,3-c]pyrazol-4-one
CID 10314260

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one?
The IUPAC name of 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one (CID 10022719) is 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one.
What is the SMILES notation for 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one?
The canonical SMILES for 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one is Cc1nn(-c2cccc(NCc3ccccc3)c2)c2oc3ccccc3c(=O)c12.
What is the InChIKey of 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one?
The InChIKey is OPOVOKFKFJEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-16-22-23(28)20-12-5-6-13-21(20)29-24(22)27(26-16)19-11-7-10-18(14-19)25-15-17-8-3-2-4-9-17/h2-14,25H,15H2,1H3.
What are the key properties of 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one?
1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one has a molecular weight of 381.44 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)phenyl]-3-methylchromeno[3,2-d]pyrazol-4-one is sourced from PubChem (CID 10022719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).