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

C16H19N3O3 — CID 136587643

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c1-21-15-7-8-22-10-14(15)17-16(20)13-9-12(18-19-13)11-5-3-2-4-6-11/h2-6,9,14-15H,7-8,10H2,1H3,(H,17,20)(H,18,19)/t14-,15-/m1/s1
InChIKeyXXKRVKMADHPFAQ-HUUCEWRRSA-N
MW301.35 g/mol
LogP1.61
Rot. Bonds4

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

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 136587643) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID136587643
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c1-21-15-7-8-22-10-14(15)17-16(20)13-9-12(18-19-13)11-5-3-2-4-6-11/h2-6,9,14-15H,7-8,10H2,1H3,(H,17,20)(H,18,19)/t14-,15-/m1/s1
InChIKeyXXKRVKMADHPFAQ-HUUCEWRRSA-N
XLogP1.61
TPSA76.24 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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136587613
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 156609682
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 114630661
1-cyclopropyl-N-[(3R,4R)-4-methoxyoxan-3-yl]pyrrole-2-carboxamide
CID 91774545
N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136587602
N-(4-methoxyoxan-3-yl)acetamide
CID 157037977
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
2-(2-chlorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]-1,3-oxazole-4-carboxamide
CID 136587610

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 136587643) is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is XXKRVKMADHPFAQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-15-7-8-22-10-14(15)17-16(20)13-9-12(18-19-13)11-5-3-2-4-6-11/h2-6,9,14-15H,7-8,10H2,1H3,(H,17,20)(H,18,19)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136587643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).