N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide

C13H21FN4O — CID 50962692

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CC[C@@H](F)C2)c1C
InChIInChI=1S/C13H21FN4O/c1-4-18-10(3)13(9(2)16-18)15-12(19)8-17-6-5-11(14)7-17/h11H,4-8H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyJYWNGTVCRRDJGG-LLVKDONJSA-N
MW268.34 g/mol
LogP1.50
Rot. Bonds4

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide (PubChem CID 50962692) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide
PubChem CID50962692
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CC[C@@H](F)C2)c1C
InChIInChI=1S/C13H21FN4O/c1-4-18-10(3)13(9(2)16-18)15-12(19)8-17-6-5-11(14)7-17/h11H,4-8H2,1-3H3,(H,15,19)/t11-/m1/s1
InChIKeyJYWNGTVCRRDJGG-LLVKDONJSA-N
XLogP1.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
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)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide (CID 50962692) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide is CCn1nc(C)c(NC(=O)CN2CC[C@@H](F)C2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide?
The InChIKey is JYWNGTVCRRDJGG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-4-18-10(3)13(9(2)16-18)15-12(19)8-17-6-5-11(14)7-17/h11H,4-8H2,1-3H3,(H,15,19)/t11-/m1/s1.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide has a molecular weight of 268.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 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)-2-[(3R)-3-fluoropyrrolidin-1-yl]acetamide is sourced from PubChem (CID 50962692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).