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

C16H20N4O — CID 5307455

IUPACN-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCc1ccccn1
InChIInChI=1S/C16H20N4O/c21-16(18-10-14-7-4-5-9-17-14)12-20-11-13-6-2-1-3-8-15(13)19-20/h4-5,7,9,11H,1-3,6,8,10,12H2,(H,18,21)
InChIKeyCUTFOGJPTMKGOG-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.86
Rot. Bonds4

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

N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 5307455) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID5307455
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCc1ccccn1
InChIInChI=1S/C16H20N4O/c21-16(18-10-14-7-4-5-9-17-14)12-20-11-13-6-2-1-3-8-15(13)19-20/h4-5,7,9,11H,1-3,6,8,10,12H2,(H,18,21)
InChIKeyCUTFOGJPTMKGOG-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 5307455) is N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCCC2)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is CUTFOGJPTMKGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(18-10-14-7-4-5-9-17-14)12-20-11-13-6-2-1-3-8-15(13)19-20/h4-5,7,9,11H,1-3,6,8,10,12H2,(H,18,21).
What are the key properties of N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 5307455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).