2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide

C14H16ClN3O — CID 114130254

IUPAC2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
SMILESCc1cnn(CCNC(=O)C(Cl)c2ccccc2)c1
InChIInChI=1S/C14H16ClN3O/c1-11-9-17-18(10-11)8-7-16-14(19)13(15)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H,16,19)
InChIKeyBXMQALJMQYHGGM-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.29
Rot. Bonds5

About 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide

2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide (PubChem CID 114130254) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
PubChem CID114130254
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
SMILESCc1cnn(CCNC(=O)C(Cl)c2ccccc2)c1
InChIInChI=1S/C14H16ClN3O/c1-11-9-17-18(10-11)8-7-16-14(19)13(15)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H,16,19)
InChIKeyBXMQALJMQYHGGM-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-sulfanylbenzamide
CID 114130493
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241452
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid
CID 114131625
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111760021
3-bromo-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzamide
CID 103707551
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 113232733

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide (CID 114130254) is 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide is Cc1cnn(CCNC(=O)C(Cl)c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide?
The InChIKey is BXMQALJMQYHGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-11-9-17-18(10-11)8-7-16-14(19)13(15)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8H2,1H3,(H,16,19).
What are the key properties of 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide?
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide has a molecular weight of 277.76 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 114130254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).