4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole

C15H14Br2N4 — CID 14322688

IUPAC4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole
SMILESCc1nn(C(c2ccccc2)n2ncc(Br)c2C)cc1Br
InChIInChI=1S/C15H14Br2N4/c1-10-14(17)9-20(19-10)15(12-6-4-3-5-7-12)21-11(2)13(16)8-18-21/h3-9,15H,1-2H3
InChIKeyWHMNIDBJAWUHHG-UHFFFAOYSA-N
MW410.11 g/mol
LogP4.32
Rot. Bonds3

About 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole

4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole (PubChem CID 14322688) has the molecular formula C15H14Br2N4 and a molecular weight of 410.11 g/mol. Its IUPAC name is 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole.

Molecular Properties

Compound Name4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole
PubChem CID14322688
Molecular FormulaC15H14Br2N4
Molecular Weight410.11 g/mol
Exact Mass407.96
IUPAC Name4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole
SMILESCc1nn(C(c2ccccc2)n2ncc(Br)c2C)cc1Br
InChIInChI=1S/C15H14Br2N4/c1-10-14(17)9-20(19-10)15(12-6-4-3-5-7-12)21-11(2)13(16)8-18-21/h3-9,15H,1-2H3
InChIKeyWHMNIDBJAWUHHG-UHFFFAOYSA-N
XLogP4.32
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole?
The IUPAC name of 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole (CID 14322688) is 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole.
What is the SMILES notation for 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole?
The canonical SMILES for 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole is Cc1nn(C(c2ccccc2)n2ncc(Br)c2C)cc1Br.
What is the InChIKey of 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole?
The InChIKey is WHMNIDBJAWUHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N4/c1-10-14(17)9-20(19-10)15(12-6-4-3-5-7-12)21-11(2)13(16)8-18-21/h3-9,15H,1-2H3.
What are the key properties of 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole?
4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole has a molecular weight of 410.11 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-bromo-3-methylpyrazol-1-yl)-phenylmethyl]-5-methylpyrazole is sourced from PubChem (CID 14322688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).