3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide

C16H14FN3O2S — CID 111441740

IUPAC3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H14FN3O2S/c17-12-3-1-10(2-4-12)13-7-14(20-19-13)16(22)18-8-15(21)11-5-6-23-9-11/h1-7,9,15,21H,8H2,(H,18,22)(H,19,20)
InChIKeyIIFMFAOBABBHCM-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.74
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 111441740) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID111441740
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H14FN3O2S/c17-12-3-1-10(2-4-12)13-7-14(20-19-13)16(22)18-8-15(21)11-5-6-23-9-11/h1-7,9,15,21H,8H2,(H,18,22)(H,19,20)
InChIKeyIIFMFAOBABBHCM-UHFFFAOYSA-N
XLogP2.74
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 96524354
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397
N'-(2-chloro-5-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 111444382
3-fluoro-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 135138260
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 86937596
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide (CID 111441740) is 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide is O=C(NCC(O)c1ccsc1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IIFMFAOBABBHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-12-3-1-10(2-4-12)13-7-14(20-19-13)16(22)18-8-15(21)11-5-6-23-9-11/h1-7,9,15,21H,8H2,(H,18,22)(H,19,20).
What are the key properties of 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 111441740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).