methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate

C12H10N2O3 — CID 1485806

IUPACmethyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate
SMILESCOC(=O)n1cc2c(n1)-c1ccccc1OC2
InChIInChI=1S/C12H10N2O3/c1-16-12(15)14-6-8-7-17-10-5-3-2-4-9(10)11(8)13-14/h2-6H,7H2,1H3
InChIKeyIKITUNCQRZZSFP-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.06
Rot. Bonds

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

methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate (PubChem CID 1485806) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate
PubChem CID1485806
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namemethyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate
SMILESCOC(=O)n1cc2c(n1)-c1ccccc1OC2
InChIInChI=1S/C12H10N2O3/c1-16-12(15)14-6-8-7-17-10-5-3-2-4-9(10)11(8)13-14/h2-6H,7H2,1H3
InChIKeyIKITUNCQRZZSFP-UHFFFAOYSA-N
XLogP2.06
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate?
The IUPAC name of methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate (CID 1485806) is methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate.
What is the SMILES notation for methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate?
The canonical SMILES for methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate is COC(=O)n1cc2c(n1)-c1ccccc1OC2.
What is the InChIKey of methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate?
The InChIKey is IKITUNCQRZZSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-16-12(15)14-6-8-7-17-10-5-3-2-4-9(10)11(8)13-14/h2-6H,7H2,1H3.
What are the key properties of methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate?
methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-chromeno[4,3-c]pyrazole-2-carboxylate is sourced from PubChem (CID 1485806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).