1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide

C14H21FN4O — CID 138035240

IUPAC1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCC12CCCN1CCC2)c1cnn(CCF)c1
InChIInChI=1S/C14H21FN4O/c15-5-8-19-10-12(9-17-19)13(20)16-11-14-3-1-6-18(14)7-2-4-14/h9-10H,1-8,11H2,(H,16,20)
InChIKeyNVUVMFTZQDMOFQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.21
Rot. Bonds5

About 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide

1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide (PubChem CID 138035240) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide
PubChem CID138035240
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(NCC12CCCN1CCC2)c1cnn(CCF)c1
InChIInChI=1S/C14H21FN4O/c15-5-8-19-10-12(9-17-19)13(20)16-11-14-3-1-6-18(14)7-2-4-14/h9-10H,1-8,11H2,(H,16,20)
InChIKeyNVUVMFTZQDMOFQ-UHFFFAOYSA-N
XLogP1.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide (CID 138035240) is 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide is O=C(NCC12CCCN1CCC2)c1cnn(CCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is NVUVMFTZQDMOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-5-8-19-10-12(9-17-19)13(20)16-11-14-3-1-6-18(14)7-2-4-14/h9-10H,1-8,11H2,(H,16,20).
What are the key properties of 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide?
1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 138035240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).