4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide

C11H18ClN3O2 — CID 19477120

IUPAC4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCCOCCCNC(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C11H18ClN3O2/c1-4-17-7-5-6-13-11(16)10-9(12)8(2)14-15(10)3/h4-7H2,1-3H3,(H,13,16)
InChIKeyYSMMFRVUKYTVGR-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.54
Rot. Bonds6

About 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19477120) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19477120
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCCOCCCNC(=O)c1c(Cl)c(C)nn1C
InChIInChI=1S/C11H18ClN3O2/c1-4-17-7-5-6-13-11(16)10-9(12)8(2)14-15(10)3/h4-7H2,1-3H3,(H,13,16)
InChIKeyYSMMFRVUKYTVGR-UHFFFAOYSA-N
XLogP1.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4772684
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19448582
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940
N-(3-ethoxypropyl)-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 39005134
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19506699
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83831960
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 19523534
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide (CID 19477120) is 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide is CCOCCCNC(=O)c1c(Cl)c(C)nn1C.
What is the InChIKey of 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YSMMFRVUKYTVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-17-7-5-6-13-11(16)10-9(12)8(2)14-15(10)3/h4-7H2,1-3H3,(H,13,16).
What are the key properties of 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 259.74 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).