4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid

C14H12N4O2 — CID 107344350

IUPAC4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
SMILESNc1cn(Cc2ccc3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C14H12N4O2/c15-11-8-18(17-13(11)14(19)20)7-9-3-4-12-10(6-9)2-1-5-16-12/h1-6,8H,7,15H2,(H,19,20)
InChIKeyLMNLCMJOMOQICK-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.76
Rot. Bonds3

About 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid

4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid (PubChem CID 107344350) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
PubChem CID107344350
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
SMILESNc1cn(Cc2ccc3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C14H12N4O2/c15-11-8-18(17-13(11)14(19)20)7-9-3-4-12-10(6-9)2-1-5-16-12/h1-6,8H,7,15H2,(H,19,20)
InChIKeyLMNLCMJOMOQICK-UHFFFAOYSA-N
XLogP1.76
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
CID 107344308
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
4-amino-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxylic acid
CID 107344309
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
CID 103098719
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 134177987
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide
CID 154780881
quinolin-6-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113411
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
CID 114419542

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid (CID 107344350) is 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid is Nc1cn(Cc2ccc3ncccc3c2)nc1C(=O)O.
What is the InChIKey of 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid?
The InChIKey is LMNLCMJOMOQICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-11-8-18(17-13(11)14(19)20)7-9-3-4-12-10(6-9)2-1-5-16-12/h1-6,8H,7,15H2,(H,19,20).
What are the key properties of 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid?
4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 107344350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).