1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid

C14H11N3O2 — CID 153386364

IUPAC1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C14H11N3O2/c1-17-8-11(14(18)19)13(16-17)10-5-4-9-3-2-6-15-12(9)7-10/h2-8H,1H3,(H,18,19)
InChIKeyGDHPWURNZSHEDI-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.33
Rot. Bonds2

About 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid

1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid (PubChem CID 153386364) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid
PubChem CID153386364
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C14H11N3O2/c1-17-8-11(14(18)19)13(16-17)10-5-4-9-3-2-6-15-12(9)7-10/h2-8H,1H3,(H,18,19)
InChIKeyGDHPWURNZSHEDI-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid (CID 153386364) is 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid?
The InChIKey is GDHPWURNZSHEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-8-11(14(18)19)13(16-17)10-5-4-9-3-2-6-15-12(9)7-10/h2-8H,1H3,(H,18,19).
What are the key properties of 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid?
1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 153386364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).