N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine

C18H19FN4O — CID 44548275

IUPACN-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine
SMILESCCNc1ccc(-c2cc(-c3cccc(OCCF)c3)[nH]n2)cn1
InChIInChI=1S/C18H19FN4O/c1-2-20-18-7-6-14(12-21-18)17-11-16(22-23-17)13-4-3-5-15(10-13)24-9-8-19/h3-7,10-12H,2,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyZMUDADLPQNFGCN-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.92
Rot. Bonds7

About N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine

N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine (PubChem CID 44548275) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine
PubChem CID44548275
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine
SMILESCCNc1ccc(-c2cc(-c3cccc(OCCF)c3)[nH]n2)cn1
InChIInChI=1S/C18H19FN4O/c1-2-20-18-7-6-14(12-21-18)17-11-16(22-23-17)13-4-3-5-15(10-13)24-9-8-19/h3-7,10-12H,2,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyZMUDADLPQNFGCN-UHFFFAOYSA-N
XLogP3.92
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine (CID 44548275) is N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine is CCNc1ccc(-c2cc(-c3cccc(OCCF)c3)[nH]n2)cn1.
What is the InChIKey of N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine?
The InChIKey is ZMUDADLPQNFGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-2-20-18-7-6-14(12-21-18)17-11-16(22-23-17)13-4-3-5-15(10-13)24-9-8-19/h3-7,10-12H,2,8-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine?
N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine has a molecular weight of 326.38 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[5-[3-(2-fluoroethoxy)phenyl]-1H-pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 44548275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).