3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide

C21H18FN3O2S — CID 126854749

IUPAC3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccco1)c1cccs1
InChIInChI=1S/C21H18FN3O2S/c1-25-18(12-17(24-25)14-6-8-15(22)9-7-14)21(26)23-13-16(19-4-2-10-27-19)20-5-3-11-28-20/h2-12,16H,13H2,1H3,(H,23,26)
InChIKeyNVXGMGAYWUGMKE-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.44
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 126854749) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
PubChem CID126854749
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccco1)c1cccs1
InChIInChI=1S/C21H18FN3O2S/c1-25-18(12-17(24-25)14-6-8-15(22)9-7-14)21(26)23-13-16(19-4-2-10-27-19)20-5-3-11-28-20/h2-12,16H,13H2,1H3,(H,23,26)
InChIKeyNVXGMGAYWUGMKE-UHFFFAOYSA-N
XLogP4.44
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 91816672
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122264747
3-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 71797339
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 126850409
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide
CID 126850403
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 126854746
3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
CID 122161477
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 99876147
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid
CID 166377689
3-(4-fluorophenyl)-N-[3-(furan-3-yl)-3-hydroxypropyl]-1-methylpyrazole-5-carboxamide
CID 71804442

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide (CID 126854749) is 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccco1)c1cccs1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is NVXGMGAYWUGMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-25-18(12-17(24-25)14-6-8-15(22)9-7-14)21(26)23-13-16(19-4-2-10-27-19)20-5-3-11-28-20/h2-12,16H,13H2,1H3,(H,23,26).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 126854749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).