3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide

C21H22N4O3 — CID 91779690

IUPAC3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H22N4O3/c26-21(19-12-18(24-25-19)15-6-2-1-3-7-15)23-17-9-11-27-14-20(17)28-13-16-8-4-5-10-22-16/h1-8,10,12,17,20H,9,11,13-14H2,(H,23,26)(H,24,25)/t17-,20-/m1/s1
InChIKeyCJPJBPQMHYLUJI-YLJYHZDGSA-N
MW378.43 g/mol
LogP2.58
Rot. Bonds6

About 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 91779690) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID91779690
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H22N4O3/c26-21(19-12-18(24-25-19)15-6-2-1-3-7-15)23-17-9-11-27-14-20(17)28-13-16-8-4-5-10-22-16/h1-8,10,12,17,20H,9,11,13-14H2,(H,23,26)(H,24,25)/t17-,20-/m1/s1
InChIKeyCJPJBPQMHYLUJI-YLJYHZDGSA-N
XLogP2.58
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-indazole-3-carboxamide
CID 91764518
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2H-benzotriazole-5-carboxamide
CID 91772579
3-cyclopropyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-4-carboxamide
CID 91786206
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
CID 91759680
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91777996
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
2-(1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 156609865
3-ethyl-5-methyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1,2-oxazole-4-carboxamide
CID 91797644
2,5-difluoro-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]benzamide
CID 91771107
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91771200

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide (CID 91779690) is 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is CJPJBPQMHYLUJI-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(19-12-18(24-25-19)15-6-2-1-3-7-15)23-17-9-11-27-14-20(17)28-13-16-8-4-5-10-22-16/h1-8,10,12,17,20H,9,11,13-14H2,(H,23,26)(H,24,25)/t17-,20-/m1/s1.
What are the key properties of 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91779690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).