N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C20H23FN4O2 — CID 110281615

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCN(C)CCC(NC(=O)c1ccc(Cn2cccn2)o1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c1-24(2)13-10-18(15-4-6-16(21)7-5-15)23-20(26)19-9-8-17(27-19)14-25-12-3-11-22-25/h3-9,11-12,18H,10,13-14H2,1-2H3,(H,23,26)
InChIKeyZMLOUBSUOKQKOG-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.09
Rot. Bonds8

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 110281615) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID110281615
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCN(C)CCC(NC(=O)c1ccc(Cn2cccn2)o1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c1-24(2)13-10-18(15-4-6-16(21)7-5-15)23-20(26)19-9-8-17(27-19)14-25-12-3-11-22-25/h3-9,11-12,18H,10,13-14H2,1-2H3,(H,23,26)
InChIKeyZMLOUBSUOKQKOG-UHFFFAOYSA-N
XLogP3.09
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 110281662
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110281612
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 110281606
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55648964
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95593404
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 110281615) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is CN(C)CCC(NC(=O)c1ccc(Cn2cccn2)o1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is ZMLOUBSUOKQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-24(2)13-10-18(15-4-6-16(21)7-5-15)23-20(26)19-9-8-17(27-19)14-25-12-3-11-22-25/h3-9,11-12,18H,10,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 110281615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).