N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C18H23N3O — CID 5308827

IUPACN-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCC(NC(=O)Cn1cc2c(n1)CCCCC2)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-14(15-8-4-2-5-9-15)19-18(22)13-21-12-16-10-6-3-7-11-17(16)20-21/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,19,22)
InChIKeyISSLCOJIWPICDZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.03
Rot. Bonds4

About N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 5308827) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID5308827
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCC(NC(=O)Cn1cc2c(n1)CCCCC2)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-14(15-8-4-2-5-9-15)19-18(22)13-21-12-16-10-6-3-7-11-17(16)20-21/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,19,22)
InChIKeyISSLCOJIWPICDZ-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 5308827) is N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is CC(NC(=O)Cn1cc2c(n1)CCCCC2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is ISSLCOJIWPICDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(15-8-4-2-5-9-15)19-18(22)13-21-12-16-10-6-3-7-11-17(16)20-21/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,19,22).
What are the key properties of N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 5308827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).