N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide

C16H19N3O3 — CID 91780512

IUPACN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C16H19N3O3/c20-16(13-6-8-17-19-13)18-14-11-21-9-7-15(14)22-10-12-4-2-1-3-5-12/h1-6,8,14-15H,7,9-11H2,(H,17,19)(H,18,20)/t14-,15+/m1/s1
InChIKeyBPZPGYXPIMYVBY-CABCVRRESA-N
MW301.35 g/mol
LogP1.51
Rot. Bonds5

About N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide

N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 91780512) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID91780512
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C16H19N3O3/c20-16(13-6-8-17-19-13)18-14-11-21-9-7-15(14)22-10-12-4-2-1-3-5-12/h1-6,8,14-15H,7,9-11H2,(H,17,19)(H,18,20)/t14-,15+/m1/s1
InChIKeyBPZPGYXPIMYVBY-CABCVRRESA-N
XLogP1.51
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide
CID 156609001
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 91763615
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide (CID 91780512) is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccn[nH]1.
What is the InChIKey of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is BPZPGYXPIMYVBY-CABCVRRESA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(13-6-8-17-19-13)18-14-11-21-9-7-15(14)22-10-12-4-2-1-3-5-12/h1-6,8,14-15H,7,9-11H2,(H,17,19)(H,18,20)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91780512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).