ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate

C13H13N3O2 — CID 135536636

IUPACethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CNc1ccccc1-2
InChIInChI=1S/C13H13N3O2/c1-2-18-13(17)11-7-12-9-5-3-4-6-10(9)14-8-16(12)15-11/h3-7,14H,2,8H2,1H3
InChIKeyWBXBPNDEYXGELR-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.11
Rot. Bonds2

About ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate

ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate (PubChem CID 135536636) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate
PubChem CID135536636
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Nameethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CNc1ccccc1-2
InChIInChI=1S/C13H13N3O2/c1-2-18-13(17)11-7-12-9-5-3-4-6-10(9)14-8-16(12)15-11/h3-7,14H,2,8H2,1H3
InChIKeyWBXBPNDEYXGELR-UHFFFAOYSA-N
XLogP2.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 5-amino-1-phenylpyrazole-3-carboxylate
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ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
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ethyl pyridine-2-carboxylate
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ethyl 5-(cyclopropylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
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CID 57428257

Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate?
The IUPAC name of ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate (CID 135536636) is ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate is CCOC(=O)c1cc2n(n1)CNc1ccccc1-2.
What is the InChIKey of ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate?
The InChIKey is WBXBPNDEYXGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-18-13(17)11-7-12-9-5-3-4-6-10(9)14-8-16(12)15-11/h3-7,14H,2,8H2,1H3.
What are the key properties of ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate?
ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate has a molecular weight of 243.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-dihydropyrazolo[1,5-c]quinazoline-2-carboxylate is sourced from PubChem (CID 135536636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).