N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H14FN3O2S — CID 87016888

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H14FN3O2S/c17-11-5-3-10(4-6-11)14(21)9-18-16(22)13-8-12(19-20-13)15-2-1-7-23-15/h1-8,14,21H,9H2,(H,18,22)(H,19,20)
InChIKeyJTXKQIYDIBFEED-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 87016888) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID87016888
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H14FN3O2S/c17-11-5-3-10(4-6-11)14(21)9-18-16(22)13-8-12(19-20-13)15-2-1-7-23-15/h1-8,14,21H,9H2,(H,18,22)(H,19,20)
InChIKeyJTXKQIYDIBFEED-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 87016888) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCC(O)c1ccc(F)cc1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is JTXKQIYDIBFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-11-5-3-10(4-6-11)14(21)9-18-16(22)13-8-12(19-20-13)15-2-1-7-23-15/h1-8,14,21H,9H2,(H,18,22)(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-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 N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 87016888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).