N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

C17H20F2N4O — CID 155567758

IUPACN-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccc(F)c(F)c2)n1)N1CCCCC1
InChIInChI=1S/C17H20F2N4O/c18-14-5-4-13(12-15(14)19)16-6-10-23(21-16)11-7-20-17(24)22-8-2-1-3-9-22/h4-6,10,12H,1-3,7-9,11H2,(H,20,24)
InChIKeyJNBJUUPGOZIHAL-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.02
Rot. Bonds4

About N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 155567758) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID155567758
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccc(F)c(F)c2)n1)N1CCCCC1
InChIInChI=1S/C17H20F2N4O/c18-14-5-4-13(12-15(14)19)16-6-10-23(21-16)11-7-20-17(24)22-8-2-1-3-9-22/h4-6,10,12H,1-3,7-9,11H2,(H,20,24)
InChIKeyJNBJUUPGOZIHAL-UHFFFAOYSA-N
XLogP3.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 155567758) is N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is O=C(NCCn1ccc(-c2ccc(F)c(F)c2)n1)N1CCCCC1.
What is the InChIKey of N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is JNBJUUPGOZIHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-14-5-4-13(12-15(14)19)16-6-10-23(21-16)11-7-20-17(24)22-8-2-1-3-9-22/h4-6,10,12H,1-3,7-9,11H2,(H,20,24).
What are the key properties of N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155567758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).