N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide

C12H20FN3O3 — CID 141377117

IUPACN-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide
SMILESCC(C)CC(F)C(=O)Nc1ccn(C[C@@H](O)CO)n1
InChIInChI=1S/C12H20FN3O3/c1-8(2)5-10(13)12(19)14-11-3-4-16(15-11)6-9(18)7-17/h3-4,8-10,17-18H,5-7H2,1-2H3,(H,14,15,19)/t9-,10?/m1/s1
InChIKeyDLFRNYKSUISIRE-YHMJZVADSA-N
MW273.31 g/mol
LogP0.56
Rot. Bonds7

About N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide

N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide (PubChem CID 141377117) has the molecular formula C12H20FN3O3 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide
PubChem CID141377117
Molecular FormulaC12H20FN3O3
Molecular Weight273.31 g/mol
Exact Mass273.15
IUPAC NameN-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide
SMILESCC(C)CC(F)C(=O)Nc1ccn(C[C@@H](O)CO)n1
InChIInChI=1S/C12H20FN3O3/c1-8(2)5-10(13)12(19)14-11-3-4-16(15-11)6-9(18)7-17/h3-4,8-10,17-18H,5-7H2,1-2H3,(H,14,15,19)/t9-,10?/m1/s1
InChIKeyDLFRNYKSUISIRE-YHMJZVADSA-N
XLogP0.56
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide?
The IUPAC name of N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide (CID 141377117) is N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide.
What is the SMILES notation for N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide?
The canonical SMILES for N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide is CC(C)CC(F)C(=O)Nc1ccn(C[C@@H](O)CO)n1.
What is the InChIKey of N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide?
The InChIKey is DLFRNYKSUISIRE-YHMJZVADSA-N. The full InChI is InChI=1S/C12H20FN3O3/c1-8(2)5-10(13)12(19)14-11-3-4-16(15-11)6-9(18)7-17/h3-4,8-10,17-18H,5-7H2,1-2H3,(H,14,15,19)/t9-,10?/m1/s1.
What are the key properties of N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide?
N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide has a molecular weight of 273.31 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-2-fluoro-4-methylpentanamide is sourced from PubChem (CID 141377117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).