N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C17H16FN3O3 — CID 112829300

IUPACN-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCOc3cccc(F)c3)n[nH]2)o1
InChIInChI=1S/C17H16FN3O3/c1-11-5-6-16(24-11)14-10-15(21-20-14)17(22)19-7-8-23-13-4-2-3-12(18)9-13/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyWAYBAVPZMLEXTE-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 112829300) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID112829300
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCOc3cccc(F)c3)n[nH]2)o1
InChIInChI=1S/C17H16FN3O3/c1-11-5-6-16(24-11)14-10-15(21-20-14)17(22)19-7-8-23-13-4-2-3-12(18)9-13/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,20,21)
InChIKeyWAYBAVPZMLEXTE-UHFFFAOYSA-N
XLogP2.93
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 112828757
5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 86981435
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70742905
5-(5-methylfuran-2-yl)-N-(2-propylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 70788324
5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70715052
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55740476

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 112829300) is N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCOc3cccc(F)c3)n[nH]2)o1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is WAYBAVPZMLEXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-11-5-6-16(24-11)14-10-15(21-20-14)17(22)19-7-8-23-13-4-2-3-12(18)9-13/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112829300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).