1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C19H14FN3O2S — CID 42761836

IUPAC1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O2S/c20-13-5-7-14(8-6-13)23-17(11-16(22-23)18-4-2-10-26-18)19(24)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,24)
InChIKeyRTMJEDIKLCYNMN-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide

1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42761836) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42761836
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN3O2S/c20-13-5-7-14(8-6-13)23-17(11-16(22-23)18-4-2-10-26-18)19(24)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,24)
InChIKeyRTMJEDIKLCYNMN-UHFFFAOYSA-N
XLogP4.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 644441
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 644788
3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid cyclopentylcarbamoylmethyl-furan-2-ylmethyl-amide
CID 649983
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 655128
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980596
N-(2,6-difluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062151
N-(2-fluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062171
N-(3,5-difluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062382
N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062384
N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 2110833
N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 32158496
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2449699

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42761836) is 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide is O=C(NCc1ccco1)c1cc(-c2cccs2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is RTMJEDIKLCYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-13-5-7-14(8-6-13)23-17(11-16(22-23)18-4-2-10-26-18)19(24)21-12-15-3-1-9-25-15/h1-11H,12H2,(H,21,24).
What are the key properties of 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42761836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).