N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C15H15N3O3 — CID 84578006

IUPACN-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2n[nH]c3c2COCC3)c1
InChIInChI=1S/C15H15N3O3/c1-9(19)10-3-2-4-11(7-10)16-15(20)14-12-8-21-6-5-13(12)17-18-14/h2-4,7H,5-6,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyLBHUDYGCDBSVGL-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.94
Rot. Bonds3

About N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 84578006) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID84578006
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2n[nH]c3c2COCC3)c1
InChIInChI=1S/C15H15N3O3/c1-9(19)10-3-2-4-11(7-10)16-15(20)14-12-8-21-6-5-13(12)17-18-14/h2-4,7H,5-6,8H2,1H3,(H,16,20)(H,17,18)
InChIKeyLBHUDYGCDBSVGL-UHFFFAOYSA-N
XLogP1.94
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577240
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
N-(2,4-dimethylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578107
N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577883
N-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577881
1-[3-(2,2-difluoroethyl)phenyl]-3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)urea
CID 166303044
N-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741077
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167836300
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585402

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 84578006) is N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2n[nH]c3c2COCC3)c1.
What is the InChIKey of N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is LBHUDYGCDBSVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(19)10-3-2-4-11(7-10)16-15(20)14-12-8-21-6-5-13(12)17-18-14/h2-4,7H,5-6,8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 84578006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).