4-bromo-N,N,1-triethylpyrazole-5-carboxamide

C10H16BrN3O — CID 4770548

IUPAC4-bromo-N,N,1-triethylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1c(Br)cnn1CC
InChIInChI=1S/C10H16BrN3O/c1-4-13(5-2)10(15)9-8(11)7-12-14(9)6-3/h7H,4-6H2,1-3H3
InChIKeyJYFQGDPNFMILFW-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.15
Rot. Bonds4

About 4-bromo-N,N,1-triethylpyrazole-5-carboxamide

4-bromo-N,N,1-triethylpyrazole-5-carboxamide (PubChem CID 4770548) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-N,N,1-triethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N,1-triethylpyrazole-5-carboxamide
PubChem CID4770548
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-bromo-N,N,1-triethylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1c(Br)cnn1CC
InChIInChI=1S/C10H16BrN3O/c1-4-13(5-2)10(15)9-8(11)7-12-14(9)6-3/h7H,4-6H2,1-3H3
InChIKeyJYFQGDPNFMILFW-UHFFFAOYSA-N
XLogP2.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
1-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 903069
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
(4-bromo-2-methylpyrazol-3-yl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4071115
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromo-2-methylpyrazol-3-yl)methanone
CID 4103503
4-bromo-N-cyclooctyl-1-ethyl-1H-pyrazole-5-carboxamide
CID 831883
4-bromo-N-cyclooctyl-1-methyl-1H-pyrazole-5-carboxamide
CID 844722
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
CID 1219586
(4-Bromo-2-methylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 1219595
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N,1-triethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N,N,1-triethylpyrazole-5-carboxamide (CID 4770548) is 4-bromo-N,N,1-triethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N,N,1-triethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N,N,1-triethylpyrazole-5-carboxamide is CCN(CC)C(=O)c1c(Br)cnn1CC.
What is the InChIKey of 4-bromo-N,N,1-triethylpyrazole-5-carboxamide?
The InChIKey is JYFQGDPNFMILFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-13(5-2)10(15)9-8(11)7-12-14(9)6-3/h7H,4-6H2,1-3H3.
What are the key properties of 4-bromo-N,N,1-triethylpyrazole-5-carboxamide?
4-bromo-N,N,1-triethylpyrazole-5-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N,1-triethylpyrazole-5-carboxamide is sourced from PubChem (CID 4770548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).