1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide

C17H16FN3O3 — CID 110001487

IUPAC1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CO)c2ccco2)nn1-c1cccc(F)c1
InChIInChI=1S/C17H16FN3O3/c1-11-8-14(20-21(11)13-5-2-4-12(18)9-13)17(23)19-15(10-22)16-6-3-7-24-16/h2-9,15,22H,10H2,1H3,(H,19,23)
InChIKeyNOGVKEAJFCEIDV-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide (PubChem CID 110001487) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
PubChem CID110001487
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CO)c2ccco2)nn1-c1cccc(F)c1
InChIInChI=1S/C17H16FN3O3/c1-11-8-14(20-21(11)13-5-2-4-12(18)9-13)17(23)19-15(10-22)16-6-3-7-24-16/h2-9,15,22H,10H2,1H3,(H,19,23)
InChIKeyNOGVKEAJFCEIDV-UHFFFAOYSA-N
XLogP2.38
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 97337801
1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110000140
1-(3-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]-5-methylpyrazole-3-carboxamide
CID 110000266
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71919540
1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide
CID 110004135
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55795787
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylprop-2-enamide
CID 178173933
2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide
CID 91651156
2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 111470567
5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide
CID 55794460
N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 84596558
N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide (CID 110001487) is 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(CO)c2ccco2)nn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is NOGVKEAJFCEIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-11-8-14(20-21(11)13-5-2-4-12(18)9-13)17(23)19-15(10-22)16-6-3-7-24-16/h2-9,15,22H,10H2,1H3,(H,19,23).
What are the key properties of 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110001487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).