2,4-dimethyl-4H-chromeno[4,3-c]pyrazole

C12H12N2O — CID 175777136

IUPAC2,4-dimethyl-4H-chromeno[4,3-c]pyrazole
SMILESCC1Oc2ccccc2-c2nn(C)cc21
InChIInChI=1S/C12H12N2O/c1-8-10-7-14(2)13-12(10)9-5-3-4-6-11(9)15-8/h3-8H,1-2H3
InChIKeyGISVPJHLDSMQFK-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.54
Rot. Bonds

About 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole

2,4-dimethyl-4H-chromeno[4,3-c]pyrazole (PubChem CID 175777136) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name2,4-dimethyl-4H-chromeno[4,3-c]pyrazole
PubChem CID175777136
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2,4-dimethyl-4H-chromeno[4,3-c]pyrazole
SMILESCC1Oc2ccccc2-c2nn(C)cc21
InChIInChI=1S/C12H12N2O/c1-8-10-7-14(2)13-12(10)9-5-3-4-6-11(9)15-8/h3-8H,1-2H3
InChIKeyGISVPJHLDSMQFK-UHFFFAOYSA-N
XLogP2.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole?
The IUPAC name of 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole (CID 175777136) is 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole.
What is the SMILES notation for 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole?
The canonical SMILES for 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole is CC1Oc2ccccc2-c2nn(C)cc21.
What is the InChIKey of 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole?
The InChIKey is GISVPJHLDSMQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-10-7-14(2)13-12(10)9-5-3-4-6-11(9)15-8/h3-8H,1-2H3.
What are the key properties of 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole?
2,4-dimethyl-4H-chromeno[4,3-c]pyrazole has a molecular weight of 200.24 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4H-chromeno[4,3-c]pyrazole is sourced from PubChem (CID 175777136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).