4-bromo-5-ethyl-1H-pyrazole-3-carboxamide

C6H8BrN3O — CID 130118792

IUPAC4-bromo-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(N)=O)c1Br
InChIInChI=1S/C6H8BrN3O/c1-2-3-4(7)5(6(8)11)10-9-3/h2H2,1H3,(H2,8,11)(H,9,10)
InChIKeyYMZDQHOKOPLRLW-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.83
Rot. Bonds2

About 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide

4-bromo-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 130118792) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID130118792
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name4-bromo-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(N)=O)c1Br
InChIInChI=1S/C6H8BrN3O/c1-2-3-4(7)5(6(8)11)10-9-3/h2H2,1H3,(H2,8,11)(H,9,10)
InChIKeyYMZDQHOKOPLRLW-UHFFFAOYSA-N
XLogP0.83
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(4-bromo-3-carbamoyl-1H-pyrazol-5-yl)methyl]carbamate
CID 154980251
ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane
CID 170574655
5-(aminomethyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 57073549
methyl 5-(2-aminoethyl)-4-bromo-1H-pyrazole-3-carboxylate
CID 83900206
4-bromo-5-ethyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 136538136
(4-bromo-5-ethyl-1H-pyrazol-3-yl)-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 154805469
5-ethyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375595
4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082853
4-amino-5-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 155251418
(4-bromo-5-ethyl-1H-pyrazol-3-yl)-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 136538093
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 114161696
ethyl 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65379797

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide (CID 130118792) is 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(N)=O)c1Br.
What is the InChIKey of 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is YMZDQHOKOPLRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-2-3-4(7)5(6(8)11)10-9-3/h2H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide?
4-bromo-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 218.05 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 130118792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).