ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate

C14H16N4O2 — CID 175843650

IUPACethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1C(C)(C)Cc1cncnc1-2
InChIInChI=1S/C14H16N4O2/c1-4-20-13(19)12-9-11(17-18-12)10-8(5-14(9,2)3)6-15-7-16-10/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyNURZFJACKQRRRD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.88
Rot. Bonds2

About ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate

ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate (PubChem CID 175843650) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate
PubChem CID175843650
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c1C(C)(C)Cc1cncnc1-2
InChIInChI=1S/C14H16N4O2/c1-4-20-13(19)12-9-11(17-18-12)10-8(5-14(9,2)3)6-15-7-16-10/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyNURZFJACKQRRRD-UHFFFAOYSA-N
XLogP1.88
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate?
The IUPAC name of ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate (CID 175843650) is ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate is CCOC(=O)c1[nH]nc2c1C(C)(C)Cc1cncnc1-2.
What is the InChIKey of ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate?
The InChIKey is NURZFJACKQRRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-4-20-13(19)12-9-11(17-18-12)10-8(5-14(9,2)3)6-15-7-16-10/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate?
ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxylate is sourced from PubChem (CID 175843650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).