N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide

C11H13BrClN5O — CID 19333314

IUPACN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide
SMILESCCn1cc(Br)c(CNC(=O)Cn2cc(Cl)cn2)n1
InChIInChI=1S/C11H13BrClN5O/c1-2-17-6-9(12)10(16-17)4-14-11(19)7-18-5-8(13)3-15-18/h3,5-6H,2,4,7H2,1H3,(H,14,19)
InChIKeyZGNHIJQHMXCCGY-UHFFFAOYSA-N
MW346.62 g/mol
LogP1.83
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide (PubChem CID 19333314) has the molecular formula C11H13BrClN5O and a molecular weight of 346.62 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide
PubChem CID19333314
Molecular FormulaC11H13BrClN5O
Molecular Weight346.62 g/mol
Exact Mass345.00
IUPAC NameN-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide
SMILESCCn1cc(Br)c(CNC(=O)Cn2cc(Cl)cn2)n1
InChIInChI=1S/C11H13BrClN5O/c1-2-17-6-9(12)10(16-17)4-14-11(19)7-18-5-8(13)3-15-18/h3,5-6H,2,4,7H2,1H3,(H,14,19)
InChIKeyZGNHIJQHMXCCGY-UHFFFAOYSA-N
XLogP1.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.62
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19333218
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19333073
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19333233
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 19333183
2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
CID 19329071
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
1-(4-chloropyrazol-1-yl)butan-2-one
CID 62040600
2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
CID 19524572
1-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(2,4-dichlorophenyl)thiourea
CID 19572034
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-iodobenzamide
CID 19333078
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-bromopyrazol-1-yl)-N-methylacetamide
CID 19531206

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide (CID 19333314) is N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide is CCn1cc(Br)c(CNC(=O)Cn2cc(Cl)cn2)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide?
The InChIKey is ZGNHIJQHMXCCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN5O/c1-2-17-6-9(12)10(16-17)4-14-11(19)7-18-5-8(13)3-15-18/h3,5-6H,2,4,7H2,1H3,(H,14,19).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide?
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide has a molecular weight of 346.62 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(4-chloropyrazol-1-yl)acetamide is sourced from PubChem (CID 19333314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).