N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride

C8H14ClN3O — CID 130678775

IUPACN-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCCN(C)C(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-4-10(2)8(12)7-5-9-11(3)6-7;/h5-6H,4H2,1-3H3;1H
InChIKeyVSXDAIFRJVBLKZ-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.93
Rot. Bonds2

About N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride

N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 130678775) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
PubChem CID130678775
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC NameN-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCCN(C)C(=O)c1cnn(C)c1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-4-10(2)8(12)7-5-9-11(3)6-7;/h5-6H,4H2,1-3H3;1H
InChIKeyVSXDAIFRJVBLKZ-UHFFFAOYSA-N
XLogP0.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 80664990
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
CID 39969648
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095
N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide
CID 178086179
N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 63225000
N-(2-bromoethyl)-1-methyl-N-propylpyrazole-4-carboxamide
CID 80661307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride (CID 130678775) is N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride is CCN(C)C(=O)c1cnn(C)c1.Cl.
What is the InChIKey of N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is VSXDAIFRJVBLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-4-10(2)8(12)7-5-9-11(3)6-7;/h5-6H,4H2,1-3H3;1H.
What are the key properties of N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride?
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 130678775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).