4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide

C10H11Br2N5O — CID 19508603

IUPAC4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2n[nH]c(Br)c2Br)c1C
InChIInChI=1S/C10H11Br2N5O/c1-3-17-5(2)6(4-13-17)14-10(18)8-7(11)9(12)16-15-8/h4H,3H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyJVNZJBHPTHANPA-UHFFFAOYSA-N
MW377.04 g/mol
LogP2.71
Rot. Bonds3

About 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide

4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19508603) has the molecular formula C10H11Br2N5O and a molecular weight of 377.04 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID19508603
Molecular FormulaC10H11Br2N5O
Molecular Weight377.04 g/mol
Exact Mass374.93
IUPAC Name4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2n[nH]c(Br)c2Br)c1C
InChIInChI=1S/C10H11Br2N5O/c1-3-17-5(2)6(4-13-17)14-10(18)8-7(11)9(12)16-15-8/h4H,3H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyJVNZJBHPTHANPA-UHFFFAOYSA-N
XLogP2.71
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.04
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(1-ethyl-5-methylpyrazol-4-yl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803416
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19263448
ethyl 5-[(4,5-dibromo-1H-pyrazole-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19508632
N-(1-ethyl-5-methylpyrazol-4-yl)-3,5-dinitrobenzamide
CID 19394271
N-(1-ethyl-5-methylpyrazol-4-yl)-4-nitrobenzamide
CID 4865654
4,5-dibromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 19515419
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394333
N-(1-ethyl-5-methylpyrazol-4-yl)-2-iodobenzamide
CID 19394235
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 19262605
N-(1-ethyl-5-methylpyrazol-4-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264018
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
CID 19538290

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide (CID 19508603) is 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide is CCn1ncc(NC(=O)c2n[nH]c(Br)c2Br)c1C.
What is the InChIKey of 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is JVNZJBHPTHANPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N5O/c1-3-17-5(2)6(4-13-17)14-10(18)8-7(11)9(12)16-15-8/h4H,3H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 377.04 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).