N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine

C20H22F2N4 — CID 70209652

IUPACN,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine
SMILESCCN(CC)CCn1cc(-c2cccnc2F)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22F2N4/c1-3-25(4-2)12-13-26-14-18(17-6-5-11-23-20(17)22)19(24-26)15-7-9-16(21)10-8-15/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyYUIRHAHUAHJWCB-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.23
Rot. Bonds7

About N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine

N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine (PubChem CID 70209652) has the molecular formula C20H22F2N4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine
PubChem CID70209652
Molecular FormulaC20H22F2N4
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC NameN,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine
SMILESCCN(CC)CCn1cc(-c2cccnc2F)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H22F2N4/c1-3-25(4-2)12-13-26-14-18(17-6-5-11-23-20(17)22)19(24-26)15-7-9-16(21)10-8-15/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyYUIRHAHUAHJWCB-UHFFFAOYSA-N
XLogP4.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine (CID 70209652) is N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine is CCN(CC)CCn1cc(-c2cccnc2F)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine?
The InChIKey is YUIRHAHUAHJWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4/c1-3-25(4-2)12-13-26-14-18(17-6-5-11-23-20(17)22)19(24-26)15-7-9-16(21)10-8-15/h5-11,14H,3-4,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine?
N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine has a molecular weight of 356.42 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(4-fluorophenyl)-4-(2-fluoro-3-pyridinyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 70209652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).