(2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide

C12H19FN4O — CID 177043359

IUPAC(2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)[C@@H](N)CC2CCC(F)C2)cn1
InChIInChI=1S/C12H19FN4O/c1-17-7-10(6-15-17)16-12(18)11(14)5-8-2-3-9(13)4-8/h6-9,11H,2-5,14H2,1H3,(H,16,18)/t8?,9?,11-/m0/s1
InChIKeyCBFMUUCEQITJOC-AMUVOQDHSA-N
MW254.31 g/mol
LogP1.21
Rot. Bonds4

About (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide

(2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 177043359) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID177043359
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name(2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)[C@@H](N)CC2CCC(F)C2)cn1
InChIInChI=1S/C12H19FN4O/c1-17-7-10(6-15-17)16-12(18)11(14)5-8-2-3-9(13)4-8/h6-9,11H,2-5,14H2,1H3,(H,16,18)/t8?,9?,11-/m0/s1
InChIKeyCBFMUUCEQITJOC-AMUVOQDHSA-N
XLogP1.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide (CID 177043359) is (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)[C@@H](N)CC2CCC(F)C2)cn1.
What is the InChIKey of (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is CBFMUUCEQITJOC-AMUVOQDHSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-17-7-10(6-15-17)16-12(18)11(14)5-8-2-3-9(13)4-8/h6-9,11H,2-5,14H2,1H3,(H,16,18)/t8?,9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide?
(2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 254.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-fluorocyclopentyl)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 177043359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).