N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide

C27H27FN4OS — CID 138585171

IUPACN-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H27FN4OS/c28-22-8-10-23(11-9-22)31-19-15-26(29-31)32(27(33)25-7-4-20-34-25)24-13-17-30(18-14-24)16-12-21-5-2-1-3-6-21/h1-11,15,19-20,24H,12-14,16-18H2
InChIKeyZVIGPCDDFIZRLB-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.43
Rot. Bonds7

About N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide

N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 138585171) has the molecular formula C27H27FN4OS and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID138585171
Molecular FormulaC27H27FN4OS
Molecular Weight474.61 g/mol
Exact Mass474.19
IUPAC NameN-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H27FN4OS/c28-22-8-10-23(11-9-22)31-19-15-26(29-31)32(27(33)25-7-4-20-34-25)24-13-17-30(18-14-24)16-12-21-5-2-1-3-6-21/h1-11,15,19-20,24H,12-14,16-18H2
InChIKeyZVIGPCDDFIZRLB-UHFFFAOYSA-N
XLogP5.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide (CID 138585171) is N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(c1cccs1)N(c1ccn(-c2ccc(F)cc2)n1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is ZVIGPCDDFIZRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4OS/c28-22-8-10-23(11-9-22)31-19-15-26(29-31)32(27(33)25-7-4-20-34-25)24-13-17-30(18-14-24)16-12-21-5-2-1-3-6-21/h1-11,15,19-20,24H,12-14,16-18H2.
What are the key properties of N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 138585171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).