N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C17H21N3O2 — CID 5307638

IUPACN-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc3c(n2)CCCCC3)c1
InChIInChI=1S/C17H21N3O2/c1-22-15-8-5-7-14(10-15)18-17(21)12-20-11-13-6-3-2-4-9-16(13)19-20/h5,7-8,10-11H,2-4,6,9,12H2,1H3,(H,18,21)
InChIKeyBRQXUALZIVUDPD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.80
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 5307638) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID5307638
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc3c(n2)CCCCC3)c1
InChIInChI=1S/C17H21N3O2/c1-22-15-8-5-7-14(10-15)18-17(21)12-20-11-13-6-3-2-4-9-16(13)19-20/h5,7-8,10-11H,2-4,6,9,12H2,1H3,(H,18,21)
InChIKeyBRQXUALZIVUDPD-UHFFFAOYSA-N
XLogP2.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 5307638) is N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is COc1cccc(NC(=O)Cn2cc3c(n2)CCCCC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is BRQXUALZIVUDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-15-8-5-7-14(10-15)18-17(21)12-20-11-13-6-3-2-4-9-16(13)19-20/h5,7-8,10-11H,2-4,6,9,12H2,1H3,(H,18,21).
What are the key properties of N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 5307638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).