2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate

C11H16FN3O2 — CID 167850075

IUPAC2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate
SMILESO=C(NCc1cc2n(n1)CCCC2)OCCF
InChIInChI=1S/C11H16FN3O2/c12-4-6-17-11(16)13-8-9-7-10-3-1-2-5-15(10)14-9/h7H,1-6,8H2,(H,13,16)
InChIKeyUUCBPEQMZDXJEG-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.42
Rot. Bonds4

About 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate

2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate (PubChem CID 167850075) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate
PubChem CID167850075
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate
SMILESO=C(NCc1cc2n(n1)CCCC2)OCCF
InChIInChI=1S/C11H16FN3O2/c12-4-6-17-11(16)13-8-9-7-10-3-1-2-5-15(10)14-9/h7H,1-6,8H2,(H,13,16)
InChIKeyUUCBPEQMZDXJEG-UHFFFAOYSA-N
XLogP1.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(aminomethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 129415673
ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
ethyl ((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)carbamate
CID 71808536
(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)(2,2,2-trifluoroethyl)amine
CID 164662603
tert-butyl 3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperazine-1-carboxylate
CID 165683712
tert-butyl N-{2-amino-3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propyl}carbamate
CID 165685204
tert-butyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperazine-1-carboxylate
CID 165826405
tert-butyl N-{1-amino-3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-yl}carbamate
CID 165832804
2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)prop-2-enamide
CID 166417486
ethyl (2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)carbamate
CID 49670887
Ethyl 4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-piperazinecarboxylate
CID 56893583
ethyl 2-cyclopropyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
CID 119103039

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate?
The IUPAC name of 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate (CID 167850075) is 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate?
The canonical SMILES for 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate is O=C(NCc1cc2n(n1)CCCC2)OCCF.
What is the InChIKey of 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate?
The InChIKey is UUCBPEQMZDXJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c12-4-6-17-11(16)13-8-9-7-10-3-1-2-5-15(10)14-9/h7H,1-6,8H2,(H,13,16).
What are the key properties of 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate?
2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate has a molecular weight of 241.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)carbamate is sourced from PubChem (CID 167850075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).