4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C12H15Br2N5O — CID 19480556

IUPAC4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1c(Br)c(C)nn1C
InChIInChI=1S/C12H15Br2N5O/c1-4-19-9(8(13)5-16-19)6-15-12(20)11-10(14)7(2)17-18(11)3/h5H,4,6H2,1-3H3,(H,15,20)
InChIKeySJQOHAMQMOQSOX-UHFFFAOYSA-N
MW405.09 g/mol
LogP2.40
Rot. Bonds4

About 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19480556) has the molecular formula C12H15Br2N5O and a molecular weight of 405.09 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19480556
Molecular FormulaC12H15Br2N5O
Molecular Weight405.09 g/mol
Exact Mass402.96
IUPAC Name4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1c(Br)c(C)nn1C
InChIInChI=1S/C12H15Br2N5O/c1-4-19-9(8(13)5-16-19)6-15-12(20)11-10(14)7(2)17-18(11)3/h5H,4,6H2,1-3H3,(H,15,20)
InChIKeySJQOHAMQMOQSOX-UHFFFAOYSA-N
XLogP2.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281732
4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480388
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-chloro-N,1,3-trimethylpyrazole-5-carboxamide
CID 19507729
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
CID 19322995
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide
CID 19323151
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557935
2-[4-[(4-bromo-1-ethylpyrazol-5-yl)methylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500739
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19323090
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]benzamide
CID 19296466
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539255

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 19480556) is 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide is CCn1ncc(Br)c1CNC(=O)c1c(Br)c(C)nn1C.
What is the InChIKey of 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is SJQOHAMQMOQSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N5O/c1-4-19-9(8(13)5-16-19)6-15-12(20)11-10(14)7(2)17-18(11)3/h5H,4,6H2,1-3H3,(H,15,20).
What are the key properties of 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 405.09 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19480556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).