3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide

C16H17ClF2N4O2 — CID 118522787

IUPAC3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C16H17ClF2N4O2/c17-9-1-2-13(25-16(18)19)11(7-9)14-12(15(20)24)8-23(22-14)10-3-5-21-6-4-10/h1-2,7-8,10,16,21H,3-6H2,(H2,20,24)
InChIKeyUJKQCHFAPRUUIY-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.83
Rot. Bonds5

About 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide

3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 118522787) has the molecular formula C16H17ClF2N4O2 and a molecular weight of 370.79 g/mol. Its IUPAC name is 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID118522787
Molecular FormulaC16H17ClF2N4O2
Molecular Weight370.79 g/mol
Exact Mass370.10
IUPAC Name3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C16H17ClF2N4O2/c17-9-1-2-13(25-16(18)19)11(7-9)14-12(15(20)24)8-23(22-14)10-3-5-21-6-4-10/h1-2,7-8,10,16,21H,3-6H2,(H2,20,24)
InChIKeyUJKQCHFAPRUUIY-UHFFFAOYSA-N
XLogP2.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide (CID 118522787) is 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide is NC(=O)c1cn(C2CCNCC2)nc1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is UJKQCHFAPRUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N4O2/c17-9-1-2-13(25-16(18)19)11(7-9)14-12(15(20)24)8-23(22-14)10-3-5-21-6-4-10/h1-2,7-8,10,16,21H,3-6H2,(H2,20,24).
What are the key properties of 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide?
3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 370.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 118522787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).