N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide

C19H19FN4OS — CID 91887878

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccsc1
InChIInChI=1S/C19H19FN4OS/c20-15-5-3-13(4-6-15)17-10-18(23-22-17)24-8-1-2-16(11-24)21-19(25)14-7-9-26-12-14/h3-7,9-10,12,16H,1-2,8,11H2,(H,21,25)(H,22,23)
InChIKeyKPOXDSPPLBSYSV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.68
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 91887878) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide
PubChem CID91887878
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccsc1
InChIInChI=1S/C19H19FN4OS/c20-15-5-3-13(4-6-15)17-10-18(23-22-17)24-8-1-2-16(11-24)21-19(25)14-7-9-26-12-14/h3-7,9-10,12,16H,1-2,8,11H2,(H,21,25)(H,22,23)
InChIKeyKPOXDSPPLBSYSV-UHFFFAOYSA-N
XLogP3.68
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide (CID 91887878) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide is O=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccsc1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is KPOXDSPPLBSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-15-5-3-13(4-6-15)17-10-18(23-22-17)24-8-1-2-16(11-24)21-19(25)14-7-9-26-12-14/h3-7,9-10,12,16H,1-2,8,11H2,(H,21,25)(H,22,23).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 91887878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).