(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone

C18H27N3O — CID 46984747

IUPAC(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
SMILESO=C(C1CCCCCC1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C18H27N3O/c22-18(14-6-3-1-2-4-7-14)21-11-10-16-15(12-21)17(20-19-16)13-8-5-9-13/h13-14H,1-12H2,(H,19,20)
InChIKeyPAULSZNISCJWPI-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.53
Rot. Bonds2

About (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone

(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone (PubChem CID 46984747) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone.

Molecular Properties

Compound Name(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
PubChem CID46984747
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone
SMILESO=C(C1CCCCCC1)N1CCc2[nH]nc(C3CCC3)c2C1
InChIInChI=1S/C18H27N3O/c22-18(14-6-3-1-2-4-7-14)21-11-10-16-15(12-21)17(20-19-16)13-8-5-9-13/h13-14H,1-12H2,(H,19,20)
InChIKeyPAULSZNISCJWPI-UHFFFAOYSA-N
XLogP3.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone?
The IUPAC name of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone (CID 46984747) is (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone.
What is the SMILES notation for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone?
The canonical SMILES for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone is O=C(C1CCCCCC1)N1CCc2[nH]nc(C3CCC3)c2C1.
What is the InChIKey of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone?
The InChIKey is PAULSZNISCJWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(14-6-3-1-2-4-7-14)21-11-10-16-15(12-21)17(20-19-16)13-8-5-9-13/h13-14H,1-12H2,(H,19,20).
What are the key properties of (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone?
(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone has a molecular weight of 301.43 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-cycloheptylmethanone is sourced from PubChem (CID 46984747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).