N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide

C14H21FN4O — CID 146107992

IUPACN-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cnn(CCF)c1)N1CCC2(CCC2)CC1
InChIInChI=1S/C14H21FN4O/c15-6-9-19-11-12(10-16-19)17-13(20)18-7-4-14(5-8-18)2-1-3-14/h10-11H,1-9H2,(H,17,20)
InChIKeyJTNGALHKOASXBJ-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.65
Rot. Bonds3

About N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide

N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 146107992) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID146107992
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC NameN-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cnn(CCF)c1)N1CCC2(CCC2)CC1
InChIInChI=1S/C14H21FN4O/c15-6-9-19-11-12(10-16-19)17-13(20)18-7-4-14(5-8-18)2-1-3-14/h10-11H,1-9H2,(H,17,20)
InChIKeyJTNGALHKOASXBJ-UHFFFAOYSA-N
XLogP2.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide (CID 146107992) is N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide is O=C(Nc1cnn(CCF)c1)N1CCC2(CCC2)CC1.
What is the InChIKey of N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is JTNGALHKOASXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-6-9-19-11-12(10-16-19)17-13(20)18-7-4-14(5-8-18)2-1-3-14/h10-11H,1-9H2,(H,17,20).
What are the key properties of N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide?
N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)pyrazol-4-yl]-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 146107992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).