N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C11H18ClN3O — CID 66120573

IUPACN-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(C)Cl)n(C)n1
InChIInChI=1S/C11H18ClN3O/c1-5-9-6-10(15(4)13-9)11(16)14(3)7-8(2)12/h6,8H,5,7H2,1-4H3
InChIKeyMIAPFICEGXGIHM-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.68
Rot. Bonds4

About N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66120573) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66120573
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(C)Cl)n(C)n1
InChIInChI=1S/C11H18ClN3O/c1-5-9-6-10(15(4)13-9)11(16)14(3)7-8(2)12/h6,8H,5,7H2,1-4H3
InChIKeyMIAPFICEGXGIHM-UHFFFAOYSA-N
XLogP1.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 77113275
3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
CID 113499792
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate
CID 66120166
N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121882
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide
CID 66121900

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66120573) is N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)CC(C)Cl)n(C)n1.
What is the InChIKey of N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is MIAPFICEGXGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-9-6-10(15(4)13-9)11(16)14(3)7-8(2)12/h6,8H,5,7H2,1-4H3.
What are the key properties of N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 243.74 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66120573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).