1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide

C14H19N5OS — CID 172899582

IUPAC1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3nccs3)C2)nn1C
InChIInChI=1S/C14H19N5OS/c1-10-8-12(17-18(10)2)13(20)16-11-4-3-6-19(9-11)14-15-5-7-21-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,20)
InChIKeyKWZDXOKKQOKBOX-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.58
Rot. Bonds3

About 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide

1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 172899582) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID172899582
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3nccs3)C2)nn1C
InChIInChI=1S/C14H19N5OS/c1-10-8-12(17-18(10)2)13(20)16-11-4-3-6-19(9-11)14-15-5-7-21-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,20)
InChIKeyKWZDXOKKQOKBOX-UHFFFAOYSA-N
XLogP1.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide (CID 172899582) is 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(c3nccs3)C2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is KWZDXOKKQOKBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-8-12(17-18(10)2)13(20)16-11-4-3-6-19(9-11)14-15-5-7-21-14/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,16,20).
What are the key properties of 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172899582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).