N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide

C16H16N4O2 — CID 56755942

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide
SMILESCOCc1cc(CNC(=O)c2cnc3ccccc3c2)[nH]n1
InChIInChI=1S/C16H16N4O2/c1-22-10-14-7-13(19-20-14)9-18-16(21)12-6-11-4-2-3-5-15(11)17-8-12/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyMQNYLMDGYPXDHM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.03
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide (PubChem CID 56755942) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide
PubChem CID56755942
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide
SMILESCOCc1cc(CNC(=O)c2cnc3ccccc3c2)[nH]n1
InChIInChI=1S/C16H16N4O2/c1-22-10-14-7-13(19-20-14)9-18-16(21)12-6-11-4-2-3-5-15(11)17-8-12/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyMQNYLMDGYPXDHM-UHFFFAOYSA-N
XLogP2.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-(1,6-naphthyridin-5-yl)benzamide
CID 162628768
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
CID 91772290
(2R,5R)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 163333725
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72840531
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-oxo-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridine-6-carboxamide
CID 91779393
N-[2-(2-hydroxyethoxy)ethyl]quinoline-3-carboxamide
CID 110489496
N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
CID 46989113
4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid
CID 71515447

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide (CID 56755942) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide is COCc1cc(CNC(=O)c2cnc3ccccc3c2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide?
The InChIKey is MQNYLMDGYPXDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-10-14-7-13(19-20-14)9-18-16(21)12-6-11-4-2-3-5-15(11)17-8-12/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide is sourced from PubChem (CID 56755942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).