2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid

C15H14N4O2 — CID 114789669

IUPAC2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2ncc3ccccc3n2)c(C)c1CC(=O)O
InChIInChI=1S/C15H14N4O2/c1-9-12(7-14(20)21)10(2)19(18-9)15-16-8-11-5-3-4-6-13(11)17-15/h3-6,8H,7H2,1-2H3,(H,20,21)
InChIKeySOXDSVTTWQXXJY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.06
Rot. Bonds3

About 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid

2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid (PubChem CID 114789669) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid
PubChem CID114789669
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid
SMILESCc1nn(-c2ncc3ccccc3n2)c(C)c1CC(=O)O
InChIInChI=1S/C15H14N4O2/c1-9-12(7-14(20)21)10(2)19(18-9)15-16-8-11-5-3-4-6-13(11)17-15/h3-6,8H,7H2,1-2H3,(H,20,21)
InChIKeySOXDSVTTWQXXJY-UHFFFAOYSA-N
XLogP2.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-bromopyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 63871923
3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-amine
CID 114789635
2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 55113103
2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 63586232
2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 82132502
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-(quinolin-3-ylmethyl)acetamide
CID 166193747
2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 71756922
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
N-(benzimidazol-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34334624
2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79149652
2-[1-(3-bromo-2-cyanophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 114887643
2-[1-(3-chloro-2-cyanophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 62496041

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid (CID 114789669) is 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid is Cc1nn(-c2ncc3ccccc3n2)c(C)c1CC(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid?
The InChIKey is SOXDSVTTWQXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-12(7-14(20)21)10(2)19(18-9)15-16-8-11-5-3-4-6-13(11)17-15/h3-6,8H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid?
2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid has a molecular weight of 282.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 114789669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).