N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide

C14H23FN4O — CID 167870261

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide
SMILESCCn1nc(C)c(CNC(=O)C2(F)CCNCC2)c1C
InChIInChI=1S/C14H23FN4O/c1-4-19-11(3)12(10(2)18-19)9-17-13(20)14(15)5-7-16-8-6-14/h16H,4-9H2,1-3H3,(H,17,20)
InChIKeySCYZQVJZWVWTRO-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.23
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide (PubChem CID 167870261) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide
PubChem CID167870261
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide
SMILESCCn1nc(C)c(CNC(=O)C2(F)CCNCC2)c1C
InChIInChI=1S/C14H23FN4O/c1-4-19-11(3)12(10(2)18-19)9-17-13(20)14(15)5-7-16-8-6-14/h16H,4-9H2,1-3H3,(H,17,20)
InChIKeySCYZQVJZWVWTRO-UHFFFAOYSA-N
XLogP1.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide (CID 167870261) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide is CCn1nc(C)c(CNC(=O)C2(F)CCNCC2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide?
The InChIKey is SCYZQVJZWVWTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-4-19-11(3)12(10(2)18-19)9-17-13(20)14(15)5-7-16-8-6-14/h16H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-fluoropiperidine-4-carboxamide is sourced from PubChem (CID 167870261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).