4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide

C10H11Br2N5O — CID 4768660

IUPAC4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)NCCn2cc(Br)cn2)n1
InChIInChI=1S/C10H11Br2N5O/c1-16-6-8(12)9(15-16)10(18)13-2-3-17-5-7(11)4-14-17/h4-6H,2-3H2,1H3,(H,13,18)
InChIKeyNGCRJBMGPQGCKO-UHFFFAOYSA-N
MW377.04 g/mol
LogP1.57
Rot. Bonds4

About 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide

4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 4768660) has the molecular formula C10H11Br2N5O and a molecular weight of 377.04 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID4768660
Molecular FormulaC10H11Br2N5O
Molecular Weight377.04 g/mol
Exact Mass374.93
IUPAC Name4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)NCCn2cc(Br)cn2)n1
InChIInChI=1S/C10H11Br2N5O/c1-16-6-8(12)9(15-16)10(18)13-2-3-17-5-7(11)4-14-17/h4-6H,2-3H2,1H3,(H,13,18)
InChIKeyNGCRJBMGPQGCKO-UHFFFAOYSA-N
XLogP1.57
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.04
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
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
(4-Bromo-2-methylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 1219595
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 4768427
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401
(4-bromo-1-methyl-1H-pyrazol-3-yl)(4-bromo-1H-pyrazol-1-yl)methanone
CID 699658
4-bromo-1-ethyl-1H-pyrazole-3-carbohydrazide
CID 840889

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide (CID 4768660) is 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)NCCn2cc(Br)cn2)n1.
What is the InChIKey of 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is NGCRJBMGPQGCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N5O/c1-16-6-8(12)9(15-16)10(18)13-2-3-17-5-7(11)4-14-17/h4-6H,2-3H2,1H3,(H,13,18).
What are the key properties of 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide?
4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 377.04 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4768660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).