(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide

C11H16IN3O — CID 124507498

IUPAC(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)n1cc(I)cn1
InChIInChI=1S/C11H16IN3O/c1-8(15-7-9(12)6-13-15)11(16)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyCEIAVCWVUGMWJE-QMMMGPOBSA-N
MW333.17 g/mol
LogP2.11
Rot. Bonds3

About (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide

(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide (PubChem CID 124507498) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide
PubChem CID124507498
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)n1cc(I)cn1
InChIInChI=1S/C11H16IN3O/c1-8(15-7-9(12)6-13-15)11(16)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyCEIAVCWVUGMWJE-QMMMGPOBSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate
CID 81495464
2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 171132699
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194152
N-cyclopentyl-2-(3-methylpyrazol-1-yl)propanamide
CID 19534188
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclooctylpropanamide
CID 45125859
N-cyclohexyl-2-[4-(hydroxymethyl)triazol-1-yl]propanamide
CID 62401094
2-(4-chloro-5-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19533698
N-[2-(2-fluorophenyl)ethyl]-2-(4-iodopyrazol-1-yl)propanamide
CID 171132579
tert-butyl 2-(4-iodopyrazol-1-yl)propanoate
CID 66338482

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide (CID 124507498) is (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide is C[C@@H](C(=O)NC1CCCC1)n1cc(I)cn1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide?
The InChIKey is CEIAVCWVUGMWJE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-8(15-7-9(12)6-13-15)11(16)14-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide?
(2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide has a molecular weight of 333.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(4-iodopyrazol-1-yl)propanamide is sourced from PubChem (CID 124507498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).