(4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one

C19H15N3O5 — CID 7306103

IUPAC(4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)O3)cc1
InChIInChI=1S/C19H15N3O5/c1-26-12-8-6-11(7-9-12)18-17-14(10-16(23)27-19(17)21-20-18)13-4-2-3-5-15(13)22(24)25/h2-9,14H,10H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyKLCBKCZPQJAONC-CQSZACIVSA-N
MW365.35 g/mol
LogP3.43
Rot. Bonds4

About (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one

(4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one (PubChem CID 7306103) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
PubChem CID7306103
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name(4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)O3)cc1
InChIInChI=1S/C19H15N3O5/c1-26-12-8-6-11(7-9-12)18-17-14(10-16(23)27-19(17)21-20-18)13-4-2-3-5-15(13)22(24)25/h2-9,14H,10H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyKLCBKCZPQJAONC-CQSZACIVSA-N
XLogP3.43
TPSA107.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306091
(4R)-6-amino-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1287442
(4R)-4-(3-bromophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306089
(4S)-3-(4-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306126
(4S)-4-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306248
3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 5302903
(4R)-6-amino-3-(4-ethoxyphenyl)-4-(2-nitrophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1423171
(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306086
4-(5-methylthiophen-2-yl)-3-(3-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 5302902
(4S)-6-amino-3-(4-methoxyphenyl)-4-[5-(2-methyl-3-nitrophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 51618479
6-amino-3-(4-methoxyphenyl)-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838537
(4S)-4-(1,3-benzodioxol-5-yl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306232

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The IUPAC name of (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one (CID 7306103) is (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one is COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)O3)cc1.
What is the InChIKey of (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The InChIKey is KLCBKCZPQJAONC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-26-12-8-6-11(7-9-12)18-17-14(10-16(23)27-19(17)21-20-18)13-4-2-3-5-15(13)22(24)25/h2-9,14H,10H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
(4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one has a molecular weight of 365.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-methoxyphenyl)-4-(2-nitrophenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 7306103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).