3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide

C14H21ClN4O — CID 19539653

IUPAC3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCN1C2CCC1CC(NC(=O)CCn1cc(Cl)cn1)C2
InChIInChI=1S/C14H21ClN4O/c1-18-12-2-3-13(18)7-11(6-12)17-14(20)4-5-19-9-10(15)8-16-19/h8-9,11-13H,2-7H2,1H3,(H,17,20)
InChIKeyDSJKWUAQJVEHSQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.67
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide

3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide (PubChem CID 19539653) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
PubChem CID19539653
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
SMILESCN1C2CCC1CC(NC(=O)CCn1cc(Cl)cn1)C2
InChIInChI=1S/C14H21ClN4O/c1-18-12-2-3-13(18)7-11(6-12)17-14(20)4-5-19-9-10(15)8-16-19/h8-9,11-13H,2-7H2,1H3,(H,17,20)
InChIKeyDSJKWUAQJVEHSQ-UHFFFAOYSA-N
XLogP1.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide (CID 19539653) is 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide is CN1C2CCC1CC(NC(=O)CCn1cc(Cl)cn1)C2.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
The InChIKey is DSJKWUAQJVEHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-18-12-2-3-13(18)7-11(6-12)17-14(20)4-5-19-9-10(15)8-16-19/h8-9,11-13H,2-7H2,1H3,(H,17,20).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide?
3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide is sourced from PubChem (CID 19539653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).