2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide

C11H16ClN3O2 — CID 146094430

IUPAC2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide
SMILESCn1cc(C2CC(NC(=O)CCl)CCO2)cn1
InChIInChI=1S/C11H16ClN3O2/c1-15-7-8(6-13-15)10-4-9(2-3-17-10)14-11(16)5-12/h6-7,9-10H,2-5H2,1H3,(H,14,16)
InChIKeyCIDOOLDWUBEIPL-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.00
Rot. Bonds3

About 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide

2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide (PubChem CID 146094430) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide
PubChem CID146094430
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide
SMILESCn1cc(C2CC(NC(=O)CCl)CCO2)cn1
InChIInChI=1S/C11H16ClN3O2/c1-15-7-8(6-13-15)10-4-9(2-3-17-10)14-11(16)5-12/h6-7,9-10H,2-5H2,1H3,(H,14,16)
InChIKeyCIDOOLDWUBEIPL-UHFFFAOYSA-N
XLogP1.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide
CID 125419795
1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 86793272
4-(4-bromooxan-2-yl)-1-methylpyrazole
CID 157045046
N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 126823574
4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 154763477
1-[(2R,4S)-2-phenyloxan-4-yl]-3-(2-propan-2-yloxyethyl)urea
CID 99622073
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
N-[2-[(2S,4R)-4-acetamidooxan-2-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 110129919
6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine
CID 167967292
2-(1-methylpyrazol-4-yl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine
CID 166384433
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide (CID 146094430) is 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide is Cn1cc(C2CC(NC(=O)CCl)CCO2)cn1.
What is the InChIKey of 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide?
The InChIKey is CIDOOLDWUBEIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15-7-8(6-13-15)10-4-9(2-3-17-10)14-11(16)5-12/h6-7,9-10H,2-5H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide?
2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 146094430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).