4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide

C20H16N4O2 — CID 39964657

IUPAC4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H16N4O2/c1-26-18-13-24(14-7-3-2-4-8-14)23-19(18)20(25)22-17-11-5-10-16-15(17)9-6-12-21-16/h2-13H,1H3,(H,22,25)
InChIKeyNJCDFXVJZWLMLU-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.68
Rot. Bonds4

About 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide

4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide (PubChem CID 39964657) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide
PubChem CID39964657
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H16N4O2/c1-26-18-13-24(14-7-3-2-4-8-14)23-19(18)20(25)22-17-11-5-10-16-15(17)9-6-12-21-16/h2-13H,1H3,(H,22,25)
InChIKeyNJCDFXVJZWLMLU-UHFFFAOYSA-N
XLogP3.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55714348
N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 55834776
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
4-methoxy-N-[3-oxo-3-(pyridin-2-ylamino)propyl]-1-phenylpyrazole-3-carboxamide
CID 47034464
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
CID 25284371
N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27844853

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide (CID 39964657) is 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide?
The InChIKey is NJCDFXVJZWLMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-18-13-24(14-7-3-2-4-8-14)23-19(18)20(25)22-17-11-5-10-16-15(17)9-6-12-21-16/h2-13H,1H3,(H,22,25).
What are the key properties of 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide is sourced from PubChem (CID 39964657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).