2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide

C8H12ClN3O2 — CID 130497501

IUPAC2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
SMILESCOc1cc(NC(=O)C(C)Cl)nn1C
InChIInChI=1S/C8H12ClN3O2/c1-5(9)8(13)10-6-4-7(14-3)12(2)11-6/h4-5H,1-3H3,(H,10,11,13)
InChIKeyWULPHODIJSMXAM-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.99
Rot. Bonds3

About 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide

2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide (PubChem CID 130497501) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
PubChem CID130497501
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
SMILESCOc1cc(NC(=O)C(C)Cl)nn1C
InChIInChI=1S/C8H12ClN3O2/c1-5(9)8(13)10-6-4-7(14-3)12(2)11-6/h4-5H,1-3H3,(H,10,11,13)
InChIKeyWULPHODIJSMXAM-UHFFFAOYSA-N
XLogP0.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.99
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

2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
CID 114256507
2,2-difluoro-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 126973542
N-[5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]prop-2-enamide
CID 132317417
N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]butanamide
CID 166226165
N-(3-methoxy-1-methylpyrazol-5-yl)formamide
CID 139632601
N-(5-methoxy-1-methylpyrazol-3-yl)azetidine-3-carboxamide;hydrochloride
CID 142434881
N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide
CID 146284482
N-butyl-2-[(5-methoxy-1-methylpyrazol-3-yl)amino]acetamide
CID 113583421
2-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propylpropanamide
CID 113584042
N-(2-aminoethyl)-N'-(5-methoxy-1-methylpyrazol-3-yl)oxamide
CID 114255303
3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 114255806
N-cyclopropyl-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]propanamide
CID 114255812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide (CID 130497501) is 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide is COc1cc(NC(=O)C(C)Cl)nn1C.
What is the InChIKey of 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide?
The InChIKey is WULPHODIJSMXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-5(9)8(13)10-6-4-7(14-3)12(2)11-6/h4-5H,1-3H3,(H,10,11,13).
What are the key properties of 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide?
2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide has a molecular weight of 217.66 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 130497501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).