3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one

C19H14ClN3O2 — CID 1214727

IUPAC3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one
SMILESCc1c(-c2ccc(Cl)cc2)oc(=O)c2c(N)n(-c3ccccc3)nc12
InChIInChI=1S/C19H14ClN3O2/c1-11-16-15(18(21)23(22-16)14-5-3-2-4-6-14)19(24)25-17(11)12-7-9-13(20)10-8-12/h2-10H,21H2,1H3
InChIKeyUTJBBAVMVLFLHZ-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.19
Rot. Bonds2

About 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one

3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one (PubChem CID 1214727) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one
PubChem CID1214727
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one
SMILESCc1c(-c2ccc(Cl)cc2)oc(=O)c2c(N)n(-c3ccccc3)nc12
InChIInChI=1S/C19H14ClN3O2/c1-11-16-15(18(21)23(22-16)14-5-3-2-4-6-14)19(24)25-17(11)12-7-9-13(20)10-8-12/h2-10H,21H2,1H3
InChIKeyUTJBBAVMVLFLHZ-UHFFFAOYSA-N
XLogP4.19
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-phenyl-
CID 690939
3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902166
3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902164
6-(3-chlorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 690934
2-Ethoxyethyl 5-amino-1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylate
CID 44573827
2-Ethoxyethyl 5-amino-1-(4-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate
CID 44573828
Methyl 5-chloro-2-[[2-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]amino]benzoate
CID 59286342
Methyl 5-chloro-2-[[4-ethyl-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]amino]benzoate
CID 91545192
[2-(2-Chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxylate
CID 135370784
[2-(2-Chlorophenyl)-2-oxoethyl] 5-amino-1-(3-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 135371307
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-(2-chloro-4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 135371325
[2-(2-Chlorophenyl)-2-oxoethyl] 5-amino-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 135371541

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one?
The IUPAC name of 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one (CID 1214727) is 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one.
What is the SMILES notation for 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one?
The canonical SMILES for 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one is Cc1c(-c2ccc(Cl)cc2)oc(=O)c2c(N)n(-c3ccccc3)nc12.
What is the InChIKey of 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one?
The InChIKey is UTJBBAVMVLFLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-11-16-15(18(21)23(22-16)14-5-3-2-4-6-14)19(24)25-17(11)12-7-9-13(20)10-8-12/h2-10H,21H2,1H3.
What are the key properties of 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one?
3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one has a molecular weight of 351.79 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-chlorophenyl)-7-methyl-2-phenylpyrano[4,3-c]pyrazol-4-one is sourced from PubChem (CID 1214727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).