N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide

C12H21N3O3 — CID 51076099

IUPACN,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cnn(C)c1C
InChIInChI=1S/C12H21N3O3/c1-10-11(9-13-14(10)2)12(16)15(5-7-17-3)6-8-18-4/h9H,5-8H2,1-4H3
InChIKeyOKJIPFZVSVBTBF-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.46
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide

N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 51076099) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID51076099
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cnn(C)c1C
InChIInChI=1S/C12H21N3O3/c1-10-11(9-13-14(10)2)12(16)15(5-7-17-3)6-8-18-4/h9H,5-8H2,1-4H3
InChIKeyOKJIPFZVSVBTBF-UHFFFAOYSA-N
XLogP0.46
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 579643
1-ethyl-3-methyl-1H-pyrazole-4-carbaldehyde
CID 573203
1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 847285
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 28064317
1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde
CID 573204
5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 1149978
1-Isopropyl-3-methyl-1H-pyrazole-4-carbaldehyde
CID 19620085
3-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 19620841
ethyl 2-(4-formyl-3-methyl-1H-pyrazol-1-yl)acetate
CID 170916120
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide (CID 51076099) is N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide is COCCN(CCOC)C(=O)c1cnn(C)c1C.
What is the InChIKey of N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OKJIPFZVSVBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-10-11(9-13-14(10)2)12(16)15(5-7-17-3)6-8-18-4/h9H,5-8H2,1-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 51076099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).