N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide

C16H19FN4O — CID 99954574

IUPACN-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(Cc2cnn(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C16H19FN4O/c1-12(22)19-15-5-6-20(11-15)9-13-8-18-21(10-13)16-4-2-3-14(17)7-16/h2-4,7-8,10,15H,5-6,9,11H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyRAQYSBOCBHVZAR-OAHLLOKOSA-N
MW302.35 g/mol
LogP1.72
Rot. Bonds4

About N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 99954574) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID99954574
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(Cc2cnn(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C16H19FN4O/c1-12(22)19-15-5-6-20(11-15)9-13-8-18-21(10-13)16-4-2-3-14(17)7-16/h2-4,7-8,10,15H,5-6,9,11H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyRAQYSBOCBHVZAR-OAHLLOKOSA-N
XLogP1.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide (CID 99954574) is N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(Cc2cnn(-c3cccc(F)c3)c2)C1.
What is the InChIKey of N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RAQYSBOCBHVZAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-12(22)19-15-5-6-20(11-15)9-13-8-18-21(10-13)16-4-2-3-14(17)7-16/h2-4,7-8,10,15H,5-6,9,11H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 302.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99954574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).