N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide

C16H16N4O — CID 115609330

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide
SMILESCCc1cc(NC(=O)c2cc(C)nc3ccccc23)n[nH]1
InChIInChI=1S/C16H16N4O/c1-3-11-9-15(20-19-11)18-16(21)13-8-10(2)17-14-7-5-4-6-12(13)14/h4-9H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyNFZHODKYAVVAOP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.08
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide (PubChem CID 115609330) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide
PubChem CID115609330
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide
SMILESCCc1cc(NC(=O)c2cc(C)nc3ccccc23)n[nH]1
InChIInChI=1S/C16H16N4O/c1-3-11-9-15(20-19-11)18-16(21)13-8-10(2)17-14-7-5-4-6-12(13)14/h4-9H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyNFZHODKYAVVAOP-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)quinoline-5-carboxamide
CID 115609299
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
3-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-6-methylpyridazine-4-carboxamide
CID 104625834
N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 42021503
methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
CID 55708999
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide (CID 115609330) is N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide is CCc1cc(NC(=O)c2cc(C)nc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is NFZHODKYAVVAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-11-9-15(20-19-11)18-16(21)13-8-10(2)17-14-7-5-4-6-12(13)14/h4-9H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 115609330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).