N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide

C20H21FN4O2 — CID 67073655

IUPACN-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cn(CCOC)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H21FN4O2/c1-3-19(26)23-18-12-15(8-9-22-18)17-13-25(10-11-27-2)24-20(17)14-4-6-16(21)7-5-14/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,23,26)
InChIKeyCEVNXEYAZKDSST-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.75
Rot. Bonds7

About N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide

N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide (PubChem CID 67073655) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
PubChem CID67073655
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(-c2cn(CCOC)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H21FN4O2/c1-3-19(26)23-18-12-15(8-9-22-18)17-13-25(10-11-27-2)24-20(17)14-4-6-16(21)7-5-14/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,23,26)
InChIKeyCEVNXEYAZKDSST-UHFFFAOYSA-N
XLogP3.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(2-chloroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465334
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465277
N-[4-[3-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465171
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67107014
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465344
3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 90465355
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 90465135
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465219
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
N-[4-[3-(3-cyano-4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465098
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[6-(4-fluorophenyl)-3-methylpyrazolo[5,1-b][1,3]oxazol-7-yl]-2-pyridinyl]propanamide
CID 135220688

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide (CID 67073655) is N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide is CCC(=O)Nc1cc(-c2cn(CCOC)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide?
The InChIKey is CEVNXEYAZKDSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-3-19(26)23-18-12-15(8-9-22-18)17-13-25(10-11-27-2)24-20(17)14-4-6-16(21)7-5-14/h4-9,12-13H,3,10-11H2,1-2H3,(H,22,23,26).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide?
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide has a molecular weight of 368.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 67073655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).