4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide

C15H13Br2N5O — CID 19508563

IUPAC4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(Cn2cc(NC(=O)c3n[nH]c(Br)c3Br)cn2)c1
InChIInChI=1S/C15H13Br2N5O/c1-9-3-2-4-10(5-9)7-22-8-11(6-18-22)19-15(23)13-12(16)14(17)21-20-13/h2-6,8H,7H2,1H3,(H,19,23)(H,20,21)
InChIKeyXUNHZCDZUJMOPX-UHFFFAOYSA-N
MW439.11 g/mol
LogP3.74
Rot. Bonds4

About 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide

4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 19508563) has the molecular formula C15H13Br2N5O and a molecular weight of 439.11 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID19508563
Molecular FormulaC15H13Br2N5O
Molecular Weight439.11 g/mol
Exact Mass436.95
IUPAC Name4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(Cn2cc(NC(=O)c3n[nH]c(Br)c3Br)cn2)c1
InChIInChI=1S/C15H13Br2N5O/c1-9-3-2-4-10(5-9)7-22-8-11(6-18-22)19-15(23)13-12(16)14(17)21-20-13/h2-6,8H,7H2,1H3,(H,19,23)(H,20,21)
InChIKeyXUNHZCDZUJMOPX-UHFFFAOYSA-N
XLogP3.74
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.11
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267419
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
4-iodo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19479936
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476743
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336255
1-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280821
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
3-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511058
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266265
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-nitrobenzamide
CID 19336158
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide (CID 19508563) is 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide is Cc1cccc(Cn2cc(NC(=O)c3n[nH]c(Br)c3Br)cn2)c1.
What is the InChIKey of 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is XUNHZCDZUJMOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N5O/c1-9-3-2-4-10(5-9)7-22-8-11(6-18-22)19-15(23)13-12(16)14(17)21-20-13/h2-6,8H,7H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 439.11 g/mol, XLogP of 3.74, 4 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-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).