1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide

C14H19N5OS — CID 128995991

IUPAC1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESO=C(NCCc1cscn1)c1ccn(C2CCCNC2)n1
InChIInChI=1S/C14H19N5OS/c20-14(16-6-3-11-9-21-10-17-11)13-4-7-19(18-13)12-2-1-5-15-8-12/h4,7,9-10,12,15H,1-3,5-6,8H2,(H,16,20)
InChIKeyFAADDLMPDUMJOC-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.24
Rot. Bonds5

About 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide

1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 128995991) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
PubChem CID128995991
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESO=C(NCCc1cscn1)c1ccn(C2CCCNC2)n1
InChIInChI=1S/C14H19N5OS/c20-14(16-6-3-11-9-21-10-17-11)13-4-7-19(18-13)12-2-1-5-15-8-12/h4,7,9-10,12,15H,1-3,5-6,8H2,(H,16,20)
InChIKeyFAADDLMPDUMJOC-UHFFFAOYSA-N
XLogP1.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide (CID 128995991) is 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide is O=C(NCCc1cscn1)c1ccn(C2CCCNC2)n1.
What is the InChIKey of 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is FAADDLMPDUMJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-14(16-6-3-11-9-21-10-17-11)13-4-7-19(18-13)12-2-1-5-15-8-12/h4,7,9-10,12,15H,1-3,5-6,8H2,(H,16,20).
What are the key properties of 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide?
1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 128995991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).