ethane;5-ethyl-N-methylpyrazole-1-carboxamide

C11H23N3O — CID 170960967

IUPACethane;5-ethyl-N-methylpyrazole-1-carboxamide
SMILESCC.CC.CCc1ccnn1C(=O)NC
InChIInChI=1S/C7H11N3O.2C2H6/c1-3-6-4-5-9-10(6)7(11)8-2;2*1-2/h4-5H,3H2,1-2H3,(H,8,11);2*1-2H3
InChIKeyLTACWQUCHRKJGJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.69
Rot. Bonds1

About ethane;5-ethyl-N-methylpyrazole-1-carboxamide

ethane;5-ethyl-N-methylpyrazole-1-carboxamide (PubChem CID 170960967) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is ethane;5-ethyl-N-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Nameethane;5-ethyl-N-methylpyrazole-1-carboxamide
PubChem CID170960967
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Nameethane;5-ethyl-N-methylpyrazole-1-carboxamide
SMILESCC.CC.CCc1ccnn1C(=O)NC
InChIInChI=1S/C7H11N3O.2C2H6/c1-3-6-4-5-9-10(6)7(11)8-2;2*1-2/h4-5H,3H2,1-2H3,(H,8,11);2*1-2H3
InChIKeyLTACWQUCHRKJGJ-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141012448
5-(2-bromoethyl)pyrazole-1-carboxylic acid
CID 174664292
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
N-methylpyrazole-1-carboxamide;propane
CID 90891150
N,5-dimethyl-2-oxo-1,3,4-oxadiazole-3-carboxamide
CID 130009396
2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84785997
6-(5-ethylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 84785161
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
5-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 175759039
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide
CID 115749008
1-butyl-5-ethylpyrazole
CID 23006159

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-N-methylpyrazole-1-carboxamide?
The IUPAC name of ethane;5-ethyl-N-methylpyrazole-1-carboxamide (CID 170960967) is ethane;5-ethyl-N-methylpyrazole-1-carboxamide.
What is the SMILES notation for ethane;5-ethyl-N-methylpyrazole-1-carboxamide?
The canonical SMILES for ethane;5-ethyl-N-methylpyrazole-1-carboxamide is CC.CC.CCc1ccnn1C(=O)NC.
What is the InChIKey of ethane;5-ethyl-N-methylpyrazole-1-carboxamide?
The InChIKey is LTACWQUCHRKJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.2C2H6/c1-3-6-4-5-9-10(6)7(11)8-2;2*1-2/h4-5H,3H2,1-2H3,(H,8,11);2*1-2H3.
What are the key properties of ethane;5-ethyl-N-methylpyrazole-1-carboxamide?
ethane;5-ethyl-N-methylpyrazole-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-N-methylpyrazole-1-carboxamide is sourced from PubChem (CID 170960967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).