N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

C16H19N3O3 — CID 99993161

IUPACN-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCCO1)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C16H19N3O3/c20-15-10-14(18-19(15)12-6-2-1-3-7-12)16(21)17-11-13-8-4-5-9-22-13/h1-3,6-7,10,13,18H,4-5,8-9,11H2,(H,17,21)/t13-/m1/s1
InChIKeyFLUGEPVZXKQBDF-CYBMUJFWSA-N
MW301.35 g/mol
LogP1.46
Rot. Bonds4

About N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 99993161) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
PubChem CID99993161
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCCO1)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C16H19N3O3/c20-15-10-14(18-19(15)12-6-2-1-3-7-12)16(21)17-11-13-8-4-5-9-22-13/h1-3,6-7,10,13,18H,4-5,8-9,11H2,(H,17,21)/t13-/m1/s1
InChIKeyFLUGEPVZXKQBDF-CYBMUJFWSA-N
XLogP1.46
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 23474466
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 42477134
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
3-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98124703
3-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124715554
N-(oxolan-2-ylmethyl)-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109045596

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (CID 99993161) is N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is O=C(NC[C@H]1CCCCO1)c1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is FLUGEPVZXKQBDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15-10-14(18-19(15)12-6-2-1-3-7-12)16(21)17-11-13-8-4-5-9-22-13/h1-3,6-7,10,13,18H,4-5,8-9,11H2,(H,17,21)/t13-/m1/s1.
What are the key properties of N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 99993161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).