N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine

C20H24FN5O — CID 174409747

IUPACN-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine
SMILESC1COCCN1.CCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H15FN4.C4H9NO/c1-2-18-15-9-12(7-8-19-15)14-10-20-21-16(14)11-3-5-13(17)6-4-11;1-3-6-4-2-5-1/h3-10H,2H2,1H3,(H,18,19)(H,20,21);5H,1-4H2
InChIKeyXUQVIDVZNJABDE-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.32
Rot. Bonds4

About N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine

N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine (PubChem CID 174409747) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine
PubChem CID174409747
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC NameN-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine
SMILESC1COCCN1.CCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H15FN4.C4H9NO/c1-2-18-15-9-12(7-8-19-15)14-10-20-21-16(14)11-3-5-13(17)6-4-11;1-3-6-4-2-5-1/h3-10H,2H2,1H3,(H,18,19)(H,20,21);5H,1-4H2
InChIKeyXUQVIDVZNJABDE-UHFFFAOYSA-N
XLogP3.32
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine?
The IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine (CID 174409747) is N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine.
What is the SMILES notation for N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine?
The canonical SMILES for N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine is C1COCCN1.CCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine?
The InChIKey is XUQVIDVZNJABDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4.C4H9NO/c1-2-18-15-9-12(7-8-19-15)14-10-20-21-16(14)11-3-5-13(17)6-4-11;1-3-6-4-2-5-1/h3-10H,2H2,1H3,(H,18,19)(H,20,21);5H,1-4H2.
What are the key properties of N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine?
N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine has a molecular weight of 369.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridin-2-amine;morpholine is sourced from PubChem (CID 174409747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).