4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide

C10H16BrN3O2 — CID 19476830

IUPAC4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)NCCCOC
InChIInChI=1S/C10H16BrN3O2/c1-3-14-9(8(11)7-13-14)10(15)12-5-4-6-16-2/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyMWCIGKPMBOGCGH-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.43
Rot. Bonds6

About 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide

4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide (PubChem CID 19476830) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
PubChem CID19476830
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)NCCCOC
InChIInChI=1S/C10H16BrN3O2/c1-3-14-9(8(11)7-13-14)10(15)12-5-4-6-16-2/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyMWCIGKPMBOGCGH-UHFFFAOYSA-N
XLogP1.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.43
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

1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114640394
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(propylamino)ethanone
CID 114668870
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 892389
4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 19476591
4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 65359115
3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 122171299
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023528

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide (CID 19476830) is 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)NCCCOC.
What is the InChIKey of 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The InChIKey is MWCIGKPMBOGCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-14-9(8(11)7-13-14)10(15)12-5-4-6-16-2/h7H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide?
4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide has a molecular weight of 290.16 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19476830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).