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

C14H15N3O2 — CID 84577240

IUPACN-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2n[nH]c3c2COCC3)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-2-4-10(7-9)15-14(18)13-11-8-19-6-5-12(11)16-17-13/h2-4,7H,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyZFONQFZSSOIZDG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.04
Rot. Bonds2

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

N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 84577240) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID84577240
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2n[nH]c3c2COCC3)c1
InChIInChI=1S/C14H15N3O2/c1-9-3-2-4-10(7-9)15-14(18)13-11-8-19-6-5-12(11)16-17-13/h2-4,7H,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyZFONQFZSSOIZDG-UHFFFAOYSA-N
XLogP2.04
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578006
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
2-(3-methylphenyl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
CID 167925151
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
N-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577881
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 131901200
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167836300
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 84577240) is N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is Cc1cccc(NC(=O)c2n[nH]c3c2COCC3)c1.
What is the InChIKey of N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is ZFONQFZSSOIZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-3-2-4-10(7-9)15-14(18)13-11-8-19-6-5-12(11)16-17-13/h2-4,7H,5-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 84577240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).