3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one

C19H16N2O4 — CID 154729355

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one
SMILESCc1cc(COc2ccc3c(c2)oc(=O)c2cc(O)ccc23)n(C)n1
InChIInChI=1S/C19H16N2O4/c1-11-7-12(21(2)20-11)10-24-14-4-6-16-15-5-3-13(22)8-17(15)19(23)25-18(16)9-14/h3-9,22H,10H2,1-2H3
InChIKeyKRRPMVVPWCPCTP-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.27
Rot. Bonds3

About 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one

3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one (PubChem CID 154729355) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one
PubChem CID154729355
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one
SMILESCc1cc(COc2ccc3c(c2)oc(=O)c2cc(O)ccc23)n(C)n1
InChIInChI=1S/C19H16N2O4/c1-11-7-12(21(2)20-11)10-24-14-4-6-16-15-5-3-13(22)8-17(15)19(23)25-18(16)9-14/h3-9,22H,10H2,1-2H3
InChIKeyKRRPMVVPWCPCTP-UHFFFAOYSA-N
XLogP3.27
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-3-(2-pyrazol-1-ylethoxy)benzo[c]chromen-6-one;hydrochloride
CID 154728757
8-hydroxy-3-methylbenzo[c]chromen-6-one;bis(3-hydroxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[c]chromen-6-one);2-(4-methylpiperazin-1-yl)ethanol
CID 167589114
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one
CID 167621734
3,8-dioctoxybenzo[c]chromen-6-one
CID 150150540
(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025674
[2-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 102723852
(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495504
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
8-hydroxy-3-nitrosobenzo[c]chromen-6-one
CID 144622401

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one (CID 154729355) is 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one is Cc1cc(COc2ccc3c(c2)oc(=O)c2cc(O)ccc23)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one?
The InChIKey is KRRPMVVPWCPCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-7-12(21(2)20-11)10-24-14-4-6-16-15-5-3-13(22)8-17(15)19(23)25-18(16)9-14/h3-9,22H,10H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one?
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one has a molecular weight of 336.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-8-hydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 154729355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).