N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide

C19H20N4O3 — CID 8897416

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H20N4O3/c1-4-26-18-15(11-8-12-20-18)17(24)21-16-13(2)22(3)23(19(16)25)14-9-6-5-7-10-14/h5-12H,4H2,1-3H3,(H,21,24)
InChIKeyGPVBBGPOGTWTGT-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.53
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide (PubChem CID 8897416) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide
PubChem CID8897416
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H20N4O3/c1-4-26-18-15(11-8-12-20-18)17(24)21-16-13(2)22(3)23(19(16)25)14-9-6-5-7-10-14/h5-12H,4H2,1-3H3,(H,21,24)
InChIKeyGPVBBGPOGTWTGT-UHFFFAOYSA-N
XLogP2.53
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide (CID 8897416) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide?
The InChIKey is GPVBBGPOGTWTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-26-18-15(11-8-12-20-18)17(24)21-16-13(2)22(3)23(19(16)25)14-9-6-5-7-10-14/h5-12H,4H2,1-3H3,(H,21,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 8897416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).