4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C14H16N4O2 — CID 81423843

IUPAC4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(-c2ccn(C)n2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C14H16N4O2/c1-8-10-7-9(14(19)20)3-4-11(10)16-13(15-8)12-5-6-18(2)17-12/h5-6,9H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyOMLQBIIFRYVACS-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.38
Rot. Bonds2

About 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423843) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423843
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCc1nc(-c2ccn(C)n2)nc2c1CC(C(=O)O)CC2
InChIInChI=1S/C14H16N4O2/c1-8-10-7-9(14(19)20)3-4-11(10)16-13(15-8)12-5-6-18(2)17-12/h5-6,9H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyOMLQBIIFRYVACS-UHFFFAOYSA-N
XLogP1.38
TPSA80.90 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423843) is 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is Cc1nc(-c2ccn(C)n2)nc2c1CC(C(=O)O)CC2.
What is the InChIKey of 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is OMLQBIIFRYVACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-10-7-9(14(19)20)3-4-11(10)16-13(15-8)12-5-6-18(2)17-12/h5-6,9H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).