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

C16H14FN3O2S — CID 111441671

IUPAC5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c17-12-3-1-10(2-4-12)15-13(7-19-20-15)16(22)18-8-14(21)11-5-6-23-9-11/h1-7,9,14,21H,8H2,(H,18,22)(H,19,20)
InChIKeyDQOPTLIYPWDZAE-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.74
Rot. Bonds5

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

5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 111441671) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID111441671
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c17-12-3-1-10(2-4-12)15-13(7-19-20-15)16(22)18-8-14(21)11-5-6-23-9-11/h1-7,9,14,21H,8H2,(H,18,22)(H,19,20)
InChIKeyDQOPTLIYPWDZAE-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

N-[(4-fluorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574310
4-[[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99782133
(3S*,4R*)-4-(3-methyl-2-thienyl)-1-[4-(1H-pyrazol-3-yl)benzoyl]piperidin-3-ol
CID 50959188
5-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 36172587
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 46592063
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-(2-hydroxy-2-(thiophen-2-yl)ethyl)piperazin-1-yl)methanone
CID 49669880
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066374
(1R)-1-(4-fluorophenyl)-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 97832308
N-[2-(hydroxymethyl)cycloheptyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 121515693
[(3R)-3-hydroxypyrrolidin-1-yl]-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 126789751
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 126790112
N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 164633474

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide (CID 111441671) is 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide is O=C(NCC(O)c1ccsc1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DQOPTLIYPWDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-12-3-1-10(2-4-12)15-13(7-19-20-15)16(22)18-8-14(21)11-5-6-23-9-11/h1-7,9,14,21H,8H2,(H,18,22)(H,19,20).
What are the key properties of 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-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 5-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 111441671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).